Entering Gaussian System, Link 0=g03 Initial command: /apps/gaussian/g09_c01/g09/l1.exe /home/scan-user-1/run/66804/Gau-29024.inp -scrdir=/home/scan-user-1/run/66804/ Entering Link 1 = /apps/gaussian/g09_c01/g09/l1.exe PID= 29025. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2011, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. 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By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision C.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2010. ****************************************** Gaussian 09: EM64L-G09RevC.01 23-Sep-2011 23-Nov-2012 ****************************************** %nprocshared=8 Will use up to 8 processors via shared memory. %mem=13000MB %NoSave %Chk=chk.chk %rwf=/tmp/pbs.2979442.cx1b/rwf ----------------------------------------- # freq b3lyp/6-31g(d,p) geom=connectivity ----------------------------------------- 1/10=4,30=1,38=1,57=2/1,3; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=2,74=-5/1,2,3; 4//1; 5/5=2,38=5,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1/2; 6/7=2,8=2,9=2,10=2,18=1,28=1/1; 7/8=1,10=1,25=1/1,2,3,16; 1/10=4,30=1/3; 99//99; ------------------ borazine frequency ------------------ Charge = 0 Multiplicity = 1 Symbolic Z-Matrix: H -2.42557 1.05715 0.00002 H -1.94597 -1.43733 0.00003 H 0.29725 -2.62904 0.00011 H 2.21776 -0.96664 0.00002 H 2.12827 1.57209 -0.00005 H -0.2718 2.4038 0.00002 N -1.13379 -0.8374 -0.00005 N -0.15838 1.40047 0.00003 N 1.29217 -0.56313 -0.00001 B -1.33017 0.57971 0. B 1.16717 0.86204 -0.00002 B 0.163 -1.44167 0.00003 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 2 maximum allowed number of steps= 2. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 1 0 -2.425569 1.057151 0.000021 2 1 0 -1.945972 -1.437330 0.000025 3 1 0 0.297249 -2.629036 0.000109 4 1 0 2.217763 -0.966637 0.000023 5 1 0 2.128268 1.572085 -0.000053 6 1 0 -0.271803 2.403803 0.000021 7 7 0 -1.133788 -0.837401 -0.000047 8 7 0 -0.158376 1.400465 0.000028 9 7 0 1.292171 -0.563133 -0.000013 10 5 0 -1.330168 0.579714 0.000004 11 5 0 1.167168 0.862044 -0.000015 12 5 0 0.163003 -1.441670 0.000026 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 H 0.000000 2 H 2.540167 0.000000 3 H 4.582763 2.540119 0.000000 4 H 5.065200 4.190255 2.540068 0.000000 5 H 4.582858 5.065176 4.582799 2.540299 0.000000 6 H 2.540114 4.190125 5.064908 4.190203 2.540098 7 N 2.293038 1.009731 2.292994 3.354042 4.055445 8 N 2.293039 3.353890 4.055178 3.353984 2.293075 9 N 4.055479 3.354071 2.292995 1.009721 2.293080 10 B 1.194927 2.108953 3.597855 3.870273 3.597997 11 B 3.598031 3.870240 3.597832 2.108986 1.194936 12 B 3.597890 2.108979 1.194931 2.108956 3.597914 6 7 8 9 10 6 H 0.000000 7 N 3.353867 0.000000 8 N 1.009729 2.441203 0.000000 9 N 3.353912 2.441414 2.441271 0.000000 10 B 2.108895 1.430657 1.430639 2.860553 0.000000 11 B 2.108947 2.860509 1.430722 1.430649 2.513244 12 B 3.869977 1.430667 2.860248 1.430681 2.513076 11 12 11 B 0.000000 12 B 2.513055 0.000000 Stoichiometry B3H6N3 Framework group C1[X(B3H6N3)] Deg. of freedom 30 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 1 0 2.425724 -1.056796 0.000021 2 1 0 1.945762 1.437615 0.000025 3 1 0 -0.297634 2.628992 0.000109 4 1 0 -2.217904 0.966312 0.000023 5 1 0 -2.128038 -1.572397 -0.000053 6 1 0 0.272155 -2.403763 0.000021 7 7 0 1.133665 0.837567 -0.000047 8 7 0 0.158581 -1.400442 0.000028 9 7 0 -1.292253 0.562944 -0.000013 10 5 0 1.330253 -0.579519 0.000004 11 5 0 -1.167042 -0.862215 -0.000015 12 5 0 -0.163214 1.441646 0.000026 --------------------------------------------------------------------- Rotational constants (GHZ): 5.2688820 5.2680019 2.6342209 Standard basis: 6-31G(d,p) (6D, 7F) There are 120 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. 120 basis functions, 210 primitive gaussians, 120 cartesian basis functions 21 alpha electrons 21 beta electrons nuclear repulsion energy 197.7435943063 Hartrees. NAtoms= 12 NActive= 12 NUniq= 12 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 120 RedAO= T NBF= 120 NBsUse= 120 1.00D-06 NBFU= 120 Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 1.27D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state of the initial guess is 1-A. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Keep R1 ints in memory in canonical form, NReq=27462724. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -242.684587238 A.U. after 12 cycles Convg = 0.6563D-08 -V/T = 2.0096 Range of M.O.s used for correlation: 1 120 NBasis= 120 NAE= 21 NBE= 21 NFC= 0 NFV= 0 NROrb= 120 NOA= 21 NOB= 21 NVA= 99 NVB= 99 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 13 centers at a time, making 1 passes doing MaxLOS=2. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. FoFDir/FoFCou used for L=0 through L=2. End of G2Drv Frequency-dependent properties file 721 does not exist. End of G2Drv Frequency-dependent properties file 722 does not exist. IDoAtm=111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=27181057. There are 39 degrees of freedom in the 1st order CPHF. IDoFFX=5. 36 vectors produced by pass 0 Test12= 5.33D-15 2.56D-09 XBig12= 4.71D+01 3.41D+00. AX will form 36 AO Fock derivatives at one time. 36 vectors produced by pass 1 Test12= 5.33D-15 2.56D-09 XBig12= 3.05D+00 4.77D-01. 36 vectors produced by pass 2 Test12= 5.33D-15 2.56D-09 XBig12= 3.14D-02 3.29D-02. 36 vectors produced by pass 3 Test12= 5.33D-15 2.56D-09 XBig12= 8.61D-05 1.85D-03. 36 vectors produced by pass 4 Test12= 5.33D-15 2.56D-09 XBig12= 6.81D-08 4.46D-05. 23 vectors produced by pass 5 Test12= 5.33D-15 2.56D-09 XBig12= 4.28D-11 1.39D-06. 3 vectors produced by pass 6 Test12= 5.33D-15 2.56D-09 XBig12= 4.31D-14 3.82D-08. Inverted reduced A of dimension 206 with in-core refinement. Isotropic polarizability for W= 0.000000 50.84 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. End of Minotr Frequency-dependent properties file 722 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -14.31546 -14.31546 -14.31546 -6.74680 -6.74679 Alpha occ. eigenvalues -- -6.74678 -0.88852 -0.83513 -0.83512 -0.55132 Alpha occ. eigenvalues -- -0.52455 -0.52454 -0.43401 -0.43399 -0.43198 Alpha occ. eigenvalues -- -0.38649 -0.36129 -0.31996 -0.31993 -0.27591 Alpha occ. eigenvalues -- -0.27590 Alpha virt. eigenvalues -- 0.02422 0.02422 0.08953 0.11824 0.11825 Alpha virt. eigenvalues -- 0.12496 0.16903 0.19643 0.19644 0.24253 Alpha virt. eigenvalues -- 0.27183 0.27183 0.28705 0.34560 0.34564 Alpha virt. eigenvalues -- 0.42106 0.45497 0.45498 0.47911 0.47914 Alpha virt. eigenvalues -- 0.50085 0.55302 0.55305 0.63676 0.67010 Alpha virt. eigenvalues -- 0.76387 0.76397 0.79017 0.79019 0.83802 Alpha virt. eigenvalues -- 0.83803 0.87429 0.88028 0.88494 0.88911 Alpha virt. eigenvalues -- 0.88912 1.02090 1.07218 1.07221 1.09347 Alpha virt. eigenvalues -- 1.11082 1.12903 1.20956 1.20960 1.24710 Alpha virt. eigenvalues -- 1.24713 1.30853 1.30856 1.31030 1.42167 Alpha virt. eigenvalues -- 1.42175 1.49852 1.66269 1.74471 1.74473 Alpha virt. eigenvalues -- 1.80263 1.80269 1.84793 1.84798 1.91398 Alpha virt. eigenvalues -- 1.93276 1.93280 1.98903 2.14869 2.14874 Alpha virt. eigenvalues -- 2.29922 2.32516 2.33072 2.33072 2.34732 Alpha virt. eigenvalues -- 2.34732 2.35658 2.37692 2.37694 2.44113 Alpha virt. eigenvalues -- 2.47245 2.49613 2.49619 2.59836 2.59838 Alpha virt. eigenvalues -- 2.71119 2.71122 2.73527 2.90052 2.90055 Alpha virt. eigenvalues -- 2.90130 3.11329 3.14821 3.14823 3.15239 Alpha virt. eigenvalues -- 3.44217 3.44221 3.56572 3.62911 3.62913 Alpha virt. eigenvalues -- 4.02028 4.16614 4.16622 4.31300 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 H 0.779559 -0.003444 -0.000098 0.000008 -0.000098 -0.003446 2 H -0.003444 0.455282 -0.003445 -0.000107 0.000008 -0.000108 3 H -0.000098 -0.003445 0.779603 -0.003445 -0.000098 0.000008 4 H 0.000008 -0.000107 -0.003445 0.455285 -0.003441 -0.000107 5 H -0.000098 0.000008 -0.000098 -0.003441 0.779584 -0.003444 6 H -0.003446 -0.000108 0.000008 -0.000107 -0.003444 0.455287 7 N -0.037319 0.356190 -0.037330 0.002240 -0.000062 0.002242 8 N -0.037317 0.002242 -0.000062 0.002241 -0.037330 0.356183 9 N -0.000062 0.002241 -0.037335 0.356187 -0.037334 0.002242 10 B 0.383128 -0.030043 0.002908 0.000833 0.002908 -0.030043 11 B 0.002907 0.000833 0.002907 -0.030033 0.383111 -0.030033 12 B 0.002906 -0.030038 0.383126 -0.030044 0.002907 0.000834 7 8 9 10 11 12 1 H -0.037319 -0.037317 -0.000062 0.383128 0.002907 0.002906 2 H 0.356190 0.002242 0.002241 -0.030043 0.000833 -0.030038 3 H -0.037330 -0.000062 -0.037335 0.002908 0.002907 0.383126 4 H 0.002240 0.002241 0.356187 0.000833 -0.030033 -0.030044 5 H -0.000062 -0.037330 -0.037334 0.002908 0.383111 0.002907 6 H 0.002242 0.356183 0.002242 -0.030043 -0.030033 0.000834 7 N 6.335033 -0.026639 -0.026597 0.460180 -0.017042 0.460202 8 N -0.026639 6.335124 -0.026604 0.460214 0.460171 -0.017054 9 N -0.026597 -0.026604 6.335191 -0.017055 0.460142 0.460174 10 B 0.460180 0.460214 -0.017055 3.477691 -0.009058 -0.009048 11 B -0.017042 0.460171 0.460142 -0.009058 3.477536 -0.009063 12 B 0.460202 -0.017054 0.460174 -0.009048 -0.009063 3.477632 Mulliken atomic charges: 1 1 H -0.086723 2 H 0.250389 3 H -0.086738 4 H 0.250383 5 H -0.086710 6 H 0.250386 7 N -0.471099 8 N -0.471170 9 N -0.471190 10 B 0.307386 11 B 0.307621 12 B 0.307465 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 7 N -0.220710 8 N -0.220784 9 N -0.220807 10 B 0.220663 11 B 0.220910 12 B 0.220727 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 APT atomic charges: 1 1 H -0.206370 2 H 0.188887 3 H -0.206397 4 H 0.188864 5 H -0.206415 6 H 0.188896 7 N -0.820474 8 N -0.820510 9 N -0.820413 10 B 0.838095 11 B 0.837860 12 B 0.837976 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 H 0.000000 2 H 0.000000 3 H 0.000000 4 H 0.000000 5 H 0.000000 6 H 0.000000 7 N -0.631588 8 N -0.631613 9 N -0.631549 10 B 0.631725 11 B 0.631445 12 B 0.631579 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 476.2604 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0002 Y= -0.0001 Z= 0.0001 Tot= 0.0003 Quadrupole moment (field-independent basis, Debye-Ang): XX= -33.2426 YY= -33.2443 ZZ= -36.8213 XY= 0.0003 XZ= 0.0001 YZ= 0.0002 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.1935 YY= 1.1917 ZZ= -2.3852 XY= 0.0003 XZ= 0.0001 YZ= 0.0002 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -4.7752 YYY= -13.5754 ZZZ= 0.0000 XYY= 4.7743 XXY= 13.5769 XXZ= 0.0006 XZZ= -0.0003 YZZ= 0.0000 YYZ= -0.0001 XYZ= 0.0003 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -303.8844 YYYY= -303.8600 ZZZZ= -36.6048 XXXY= 0.0002 XXXZ= -0.0005 YYYX= 0.0012 YYYZ= -0.0013 ZZZX= -0.0001 ZZZY= -0.0002 XXYY= -101.2880 XXZZ= -61.7579 YYZZ= -61.7520 XXYZ= 0.0005 YYXZ= 0.0002 ZZXY= 0.0002 N-N= 1.977435943063D+02 E-N=-9.594896230020D+02 KE= 2.403797626100D+02 Exact polarizability: 62.448 0.001 62.444 0.000 0.000 27.641 Approx polarizability: 84.829 0.001 84.822 0.000 0.000 40.289 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -17.2200 -10.7657 -6.6660 0.0007 0.0007 0.0007 Low frequencies --- 288.8527 289.6687 404.1667 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 A A A Frequencies -- 288.8524 289.6685 404.1664 Red. masses -- 2.9273 2.9246 1.9257 Frc consts -- 0.1439 0.1446 0.1853 IR Inten -- 0.0000 0.0000 23.5573 Atom AN X Y Z X Y Z X Y Z 1 1 0.00 0.00 0.68 0.00 0.00 -0.13 0.00 0.00 -0.53 2 1 0.00 0.00 -0.18 0.00 0.00 -0.20 0.00 0.00 -0.16 3 1 0.00 0.00 -0.23 0.00 0.00 0.66 0.00 0.00 -0.53 4 1 0.00 0.00 0.26 0.00 0.00 -0.05 0.00 0.00 -0.16 5 1 0.00 0.00 -0.45 0.00 0.00 -0.53 0.00 0.00 -0.53 6 1 0.00 0.00 -0.09 0.00 0.00 0.25 0.00 0.00 -0.16 7 7 0.00 0.00 -0.16 0.00 0.00 -0.18 0.00 0.00 0.13 8 7 0.00 0.00 -0.08 0.00 0.00 0.23 0.00 0.00 0.13 9 7 0.00 0.00 0.24 0.00 0.00 -0.05 0.00 0.00 0.13 10 5 0.00 0.00 0.22 0.00 0.00 -0.04 0.00 0.00 -0.10 11 5 0.00 0.00 -0.15 0.00 0.00 -0.17 0.00 0.00 -0.10 12 5 0.00 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 -0.10 4 5 6 A A A Frequencies -- 525.0284 525.1387 710.1140 Red. masses -- 6.4513 6.4512 1.1571 Frc consts -- 1.0478 1.0482 0.3438 IR Inten -- 0.6317 0.6353 0.0239 Atom AN X Y Z X Y Z X Y Z 1 1 -0.21 -0.17 0.00 -0.27 0.21 0.00 0.00 0.00 0.08 2 1 0.27 0.24 0.00 0.16 -0.10 0.00 0.00 0.00 0.81 3 1 -0.17 -0.25 0.00 -0.19 0.25 0.00 0.00 0.00 0.05 4 1 0.18 0.11 0.00 0.29 -0.19 0.00 0.00 0.00 -0.46 5 1 -0.26 -0.25 0.00 -0.20 0.16 0.00 0.00 0.00 -0.13 6 1 0.11 0.25 0.00 0.15 -0.26 0.00 0.00 0.00 -0.31 7 7 0.31 0.19 0.00 -0.05 0.18 0.00 0.00 0.00 -0.07 8 7 -0.16 0.22 0.00 -0.08 -0.29 0.00 0.00 0.00 0.03 9 7 0.05 -0.20 0.00 0.34 -0.08 0.00 0.00 0.00 0.04 10 5 -0.06 0.16 0.00 -0.33 0.10 0.00 0.00 0.00 -0.03 11 5 -0.30 -0.19 0.00 0.02 -0.14 0.00 0.00 0.00 0.05 12 5 0.13 -0.22 0.00 0.05 0.28 0.00 0.00 0.00 -0.02 7 8 9 A A A Frequencies -- 710.7247 732.5926 864.4186 Red. masses -- 1.1572 1.2622 7.4064 Frc consts -- 0.3444 0.3991 3.2606 IR Inten -- 0.0006 59.8104 0.0000 Atom AN X Y Z X Y Z X Y Z 1 1 0.00 0.00 0.11 0.00 0.00 0.08 -0.02 0.01 0.00 2 1 0.00 0.00 -0.09 0.00 0.00 0.55 -0.33 -0.24 0.00 3 1 0.00 0.00 -0.12 0.00 0.00 0.08 0.00 -0.02 0.00 4 1 0.00 0.00 -0.65 0.00 0.00 0.57 0.38 -0.16 0.00 5 1 0.00 0.00 0.01 0.00 0.00 0.08 0.02 0.01 0.00 6 1 0.00 0.00 0.73 0.00 0.00 0.57 -0.05 0.41 0.00 7 7 0.00 0.00 0.01 0.00 0.00 0.02 -0.33 -0.24 0.00 8 7 0.00 0.00 -0.07 0.00 0.00 0.02 -0.05 0.40 0.00 9 7 0.00 0.00 0.06 0.00 0.00 0.02 0.37 -0.16 0.00 10 5 0.00 0.00 -0.04 0.00 0.00 -0.09 -0.01 0.00 0.00 11 5 0.00 0.00 -0.01 0.00 0.00 -0.09 0.01 0.00 0.00 12 5 0.00 0.00 0.05 0.00 0.00 -0.09 0.00 -0.01 0.00 10 11 12 A A A Frequencies -- 927.3428 927.6238 936.8611 Red. masses -- 1.4796 1.4800 1.4552 Frc consts -- 0.7497 0.7503 0.7525 IR Inten -- 0.0428 0.0567 236.1530 Atom AN X Y Z X Y Z X Y Z 1 1 0.00 0.00 0.78 0.00 0.00 -0.11 0.00 0.00 0.48 2 1 0.00 0.00 -0.07 0.00 0.00 0.17 0.00 0.00 -0.27 3 1 0.00 0.00 -0.46 0.00 0.00 -0.63 0.00 0.00 0.49 4 1 0.00 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 -0.28 5 1 0.00 0.00 -0.29 0.00 0.00 0.71 0.00 0.00 0.51 6 1 0.00 0.00 -0.11 0.00 0.00 -0.14 0.00 0.00 -0.28 7 7 0.00 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 0.06 8 7 0.00 0.00 0.03 0.00 0.00 0.04 0.00 0.00 0.06 9 7 0.00 0.00 -0.05 0.00 0.00 0.01 0.00 0.00 0.06 10 5 0.00 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 -0.10 11 5 0.00 0.00 0.06 0.00 0.00 -0.15 0.00 0.00 -0.10 12 5 0.00 0.00 0.10 0.00 0.00 0.13 0.00 0.00 -0.10 13 14 15 A A A Frequencies -- 944.2607 944.5018 944.9104 Red. masses -- 1.6673 1.6484 5.4625 Frc consts -- 0.8759 0.8664 2.8736 IR Inten -- 0.0035 0.0043 0.0001 Atom AN X Y Z X Y Z X Y Z 1 1 0.28 0.29 0.00 0.16 0.58 0.00 -0.33 0.18 0.00 2 1 -0.19 0.26 0.00 -0.07 -0.07 0.00 -0.05 0.06 0.00 3 1 -0.31 -0.13 0.00 0.63 0.00 0.00 -0.08 -0.44 0.00 4 1 0.14 0.13 0.00 0.06 0.27 0.00 0.04 0.00 0.00 5 1 -0.44 0.54 0.00 -0.09 -0.10 0.00 0.23 0.38 0.00 6 1 -0.14 -0.10 0.00 0.29 -0.01 0.00 -0.06 -0.01 0.00 7 7 -0.03 0.04 0.00 -0.07 -0.05 0.00 0.01 0.02 0.00 8 7 -0.01 -0.08 0.00 0.05 -0.04 0.00 -0.01 -0.02 0.00 9 7 0.08 -0.01 0.00 -0.03 0.06 0.00 0.01 0.00 0.00 10 5 0.15 0.00 0.00 -0.04 0.12 0.00 -0.32 0.15 0.00 11 5 -0.09 0.07 0.00 -0.09 -0.08 0.00 0.30 0.26 0.00 12 5 -0.04 -0.09 0.00 0.10 -0.06 0.00 0.03 -0.41 0.00 16 17 18 A A A Frequencies -- 1051.8288 1080.6345 1080.6855 Red. masses -- 1.0306 1.2600 1.2604 Frc consts -- 0.6718 0.8669 0.8673 IR Inten -- 0.0000 0.1942 0.2000 Atom AN X Y Z X Y Z X Y Z 1 1 -0.20 -0.45 0.00 0.00 -0.12 0.00 -0.21 -0.46 0.00 2 1 -0.18 0.24 0.00 -0.34 0.48 0.00 -0.14 0.13 0.00 3 1 0.49 0.06 0.00 0.38 0.01 0.00 -0.34 -0.08 0.00 4 1 -0.12 -0.27 0.00 0.09 0.11 0.00 0.23 0.56 0.00 5 1 -0.29 0.39 0.00 0.31 -0.39 0.00 0.05 -0.16 0.00 6 1 0.30 0.03 0.00 -0.45 -0.08 0.00 0.42 0.02 0.00 7 7 -0.01 0.02 0.00 -0.05 0.08 0.00 -0.04 0.00 0.00 8 7 0.02 0.00 0.00 -0.07 -0.03 0.00 0.07 -0.02 0.00 9 7 -0.01 -0.02 0.00 0.04 0.00 0.00 0.03 0.09 0.00 10 5 0.00 0.01 0.00 0.04 -0.03 0.00 -0.02 -0.02 0.00 11 5 0.00 -0.01 0.00 0.03 -0.01 0.00 -0.04 -0.04 0.00 12 5 -0.01 0.00 0.00 0.02 -0.03 0.00 -0.01 -0.04 0.00 19 20 21 A A A Frequencies -- 1245.1261 1314.1752 1399.9173 Red. masses -- 4.3302 1.4695 1.9480 Frc consts -- 3.9553 1.4953 2.2493 IR Inten -- 0.0001 0.0001 11.0687 Atom AN X Y Z X Y Z X Y Z 1 1 -0.11 -0.26 0.00 0.10 0.22 0.00 -0.04 -0.30 0.00 2 1 0.23 -0.31 0.00 -0.30 0.41 0.00 0.35 -0.49 0.00 3 1 0.28 0.03 0.00 -0.24 -0.03 0.00 0.18 -0.08 0.00 4 1 0.15 0.35 0.00 -0.20 -0.47 0.00 -0.09 -0.37 0.00 5 1 -0.17 0.23 0.00 0.14 -0.20 0.00 0.26 -0.38 0.00 6 1 -0.38 -0.04 0.00 0.51 0.06 0.00 0.24 -0.06 0.00 7 7 0.09 -0.12 0.00 0.06 -0.09 0.00 -0.05 0.05 0.00 8 7 -0.15 -0.02 0.00 -0.11 -0.01 0.00 -0.02 -0.08 0.00 9 7 0.06 0.13 0.00 0.04 0.10 0.00 0.08 0.02 0.00 10 5 0.12 0.26 0.00 0.01 0.01 0.00 0.10 0.09 0.00 11 5 0.17 -0.23 0.00 0.01 -0.01 0.00 -0.13 0.16 0.00 12 5 -0.29 -0.03 0.00 -0.01 0.00 0.00 -0.07 -0.08 0.00 22 23 24 A A A Frequencies -- 1400.2306 1491.9990 1492.2754 Red. masses -- 1.9487 4.2204 4.2250 Frc consts -- 2.2511 5.5353 5.5434 IR Inten -- 11.1449 493.7928 493.7214 Atom AN X Y Z X Y Z X Y Z 1 1 -0.20 -0.31 0.00 -0.18 0.08 0.00 0.10 0.23 0.00 2 1 -0.12 0.02 0.00 -0.28 0.45 0.00 0.24 -0.20 0.00 3 1 -0.43 -0.09 0.00 0.20 0.12 0.00 0.14 -0.16 0.00 4 1 -0.24 -0.42 0.00 0.08 -0.04 0.00 -0.24 -0.56 0.00 5 1 -0.12 -0.01 0.00 0.05 -0.23 0.00 -0.21 0.00 0.00 6 1 -0.56 -0.10 0.00 -0.52 -0.10 0.00 -0.31 0.04 0.00 7 7 -0.06 -0.06 0.00 0.18 -0.17 0.00 -0.02 0.16 0.00 8 7 0.07 -0.02 0.00 0.25 -0.02 0.00 0.13 0.10 0.00 9 7 -0.02 0.07 0.00 0.09 -0.04 0.00 0.11 0.26 0.00 10 5 0.02 0.17 0.00 -0.16 0.07 0.00 -0.11 -0.24 0.00 11 5 -0.04 -0.07 0.00 -0.20 0.13 0.00 -0.04 -0.19 0.00 12 5 0.19 -0.01 0.00 -0.24 0.06 0.00 -0.11 -0.16 0.00 25 26 27 A A A Frequencies -- 2640.8788 2641.1467 2650.9336 Red. masses -- 1.0987 1.0987 1.1009 Frc consts -- 4.5147 4.5156 4.5583 IR Inten -- 283.4834 283.5505 0.0937 Atom AN X Y Z X Y Z X Y Z 1 1 0.32 -0.14 0.00 -0.67 0.29 0.00 0.54 -0.23 0.00 2 1 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 3 1 -0.05 0.44 0.00 -0.07 0.67 0.00 -0.07 0.58 0.00 4 1 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 5 1 0.66 0.49 0.00 -0.04 -0.03 0.00 -0.45 -0.33 0.00 6 1 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.00 7 7 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 7 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 7 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 5 -0.03 0.01 0.00 0.06 -0.03 0.00 -0.05 0.02 0.00 11 5 -0.06 -0.05 0.00 0.00 0.00 0.00 0.04 0.03 0.00 12 5 0.01 -0.04 0.00 0.01 -0.06 0.00 0.01 -0.06 0.00 28 29 30 A A A Frequencies -- 3641.5325 3643.2216 3643.5857 Red. masses -- 1.0768 1.0761 1.0761 Frc consts -- 8.4131 8.4156 8.4174 IR Inten -- 0.5688 39.6985 39.1803 Atom AN X Y Z X Y Z X Y Z 1 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 1 -0.38 -0.28 0.00 0.04 0.03 0.00 0.70 0.52 0.00 3 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 1 0.56 -0.24 0.00 -0.64 0.28 0.00 0.34 -0.15 0.00 5 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 -0.07 0.63 0.00 -0.08 0.70 0.00 -0.03 0.30 0.00 7 7 0.03 0.02 0.00 0.00 0.00 0.00 -0.05 -0.04 0.00 8 7 0.01 -0.05 0.00 0.01 -0.05 0.00 0.00 -0.02 0.00 9 7 -0.04 0.02 0.00 0.05 -0.02 0.00 -0.02 0.01 0.00 10 5 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 5 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 5 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 1 and mass 1.00783 Atom 2 has atomic number 1 and mass 1.00783 Atom 3 has atomic number 1 and mass 1.00783 Atom 4 has atomic number 1 and mass 1.00783 Atom 5 has atomic number 1 and mass 1.00783 Atom 6 has atomic number 1 and mass 1.00783 Atom 7 has atomic number 7 and mass 14.00307 Atom 8 has atomic number 7 and mass 14.00307 Atom 9 has atomic number 7 and mass 14.00307 Atom 10 has atomic number 5 and mass 11.00931 Atom 11 has atomic number 5 and mass 11.00931 Atom 12 has atomic number 5 and mass 11.00931 Molecular mass: 81.08409 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 342.52831 342.58553 685.11383 X 1.00000 -0.00115 0.00000 Y 0.00115 1.00000 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an asymmetric top. Rotational symmetry number 1. Rotational temperatures (Kelvin) 0.25287 0.25282 0.12642 Rotational constants (GHZ): 5.26888 5.26800 2.63422 Zero-point vibrational energy 245799.0 (Joules/Mol) 58.74736 (Kcal/Mol) Warning -- explicit consideration of 5 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 415.59 416.77 581.50 755.40 755.56 (Kelvin) 1021.69 1022.57 1054.04 1243.70 1334.24 1334.64 1347.93 1358.58 1358.93 1359.51 1513.35 1554.79 1554.86 1791.46 1890.80 2014.17 2014.62 2146.65 2147.05 3799.63 3800.02 3814.10 5239.35 5241.78 5242.30 Zero-point correction= 0.093620 (Hartree/Particle) Thermal correction to Energy= 0.098831 Thermal correction to Enthalpy= 0.099776 Thermal correction to Gibbs Free Energy= 0.065493 Sum of electronic and zero-point Energies= -242.590967 Sum of electronic and thermal Energies= -242.585756 Sum of electronic and thermal Enthalpies= -242.584812 Sum of electronic and thermal Free Energies= -242.619094 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 62.018 20.446 72.154 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 39.093 Rotational 0.889 2.981 25.889 Vibrational 60.240 14.484 7.172 Vibration 1 0.685 1.694 1.481 Vibration 2 0.686 1.693 1.476 Vibration 3 0.769 1.461 0.947 Vibration 4 0.880 1.195 0.598 Vibration 5 0.880 1.194 0.598 Q Log10(Q) Ln(Q) Total Bot 0.750649D-30 -30.124563 -69.364370 Total V=0 0.865963D+13 12.937500 29.789694 Vib (Bot) 0.257702D-42 -42.588882 -98.064525 Vib (Bot) 1 0.662459D+00 -0.178841 -0.411797 Vib (Bot) 2 0.660299D+00 -0.180259 -0.415062 Vib (Bot) 3 0.439649D+00 -0.356894 -0.821780 Vib (Bot) 4 0.306019D+00 -0.514252 -1.184110 Vib (Bot) 5 0.305923D+00 -0.514388 -1.184422 Vib (V=0) 0.297290D+01 0.473180 1.089538 Vib (V=0) 1 0.132997D+01 0.123842 0.285157 Vib (V=0) 2 0.132825D+01 0.123279 0.283861 Vib (V=0) 3 0.116580D+01 0.066624 0.153408 Vib (V=0) 4 0.108621D+01 0.035916 0.082699 Vib (V=0) 5 0.108616D+01 0.035896 0.082653 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.286985D+08 7.457859 17.172354 Rotational 0.101499D+06 5.006461 11.527801 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 1 -0.000083916 0.000039255 0.000000134 2 1 0.000024541 0.000010262 -0.000002071 3 1 0.000005596 -0.000093286 -0.000000585 4 1 -0.000016134 0.000018449 -0.000000871 5 1 0.000069707 0.000052029 0.000000704 6 1 0.000007041 -0.000016437 0.000000583 7 7 -0.000018018 0.000022422 0.000006474 8 7 0.000057570 0.000035119 -0.000002523 9 7 0.000004995 0.000012890 0.000002370 10 5 0.000150397 -0.000078853 -0.000001378 11 5 -0.000194006 -0.000171653 -0.000000429 12 5 -0.000007773 0.000169803 -0.000002408 ------------------------------------------------------------------- Cartesian Forces: Max 0.000194006 RMS 0.000066034 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Search for a local minimum. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- 0.00859 0.00862 0.01375 0.02656 0.03929 Eigenvalues --- 0.03930 0.04350 0.04714 0.04718 0.05459 Eigenvalues --- 0.05461 0.08139 0.08142 0.13846 0.16557 Eigenvalues --- 0.16585 0.17008 0.17468 0.22386 0.32875 Eigenvalues --- 0.32882 0.59990 0.60004 0.71554 0.74203 Eigenvalues --- 0.99781 0.99820 1.15103 1.15143 1.15380 Angle between quadratic step and forces= 47.87 degrees. Linear search not attempted -- first point. TrRot= -0.000006 -0.000003 0.000012 -0.000002 0.000002 -0.000002 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 -4.58366 -0.00008 0.00000 -0.00023 -0.00023 -4.58389 Y1 1.99773 0.00004 0.00000 0.00004 0.00005 1.99778 Z1 0.00004 0.00000 0.00000 -0.00003 -0.00001 0.00003 X2 -3.67735 0.00002 0.00000 0.00026 0.00024 -3.67711 Y2 -2.71616 0.00001 0.00000 0.00001 0.00002 -2.71614 Z2 0.00005 0.00000 0.00000 -0.00001 0.00001 0.00006 X3 0.56172 0.00001 0.00000 -0.00008 -0.00010 0.56162 Y3 -4.96816 -0.00009 0.00000 -0.00025 -0.00025 -4.96841 Z3 0.00021 0.00000 0.00000 -0.00016 -0.00015 0.00005 X4 4.19096 -0.00002 0.00000 0.00010 0.00009 4.19105 Y4 -1.82668 0.00002 0.00000 0.00035 0.00033 -1.82635 Z4 0.00004 0.00000 0.00000 -0.00003 -0.00003 0.00001 X5 4.02184 0.00007 0.00000 -0.00011 -0.00011 4.02174 Y5 2.97081 0.00005 0.00000 -0.00010 -0.00011 2.97070 Z5 -0.00010 0.00000 0.00000 0.00008 0.00008 -0.00002 X6 -0.51363 0.00001 0.00000 0.00022 0.00023 -0.51340 Y6 4.54253 -0.00002 0.00000 0.00005 0.00005 4.54258 Z6 0.00004 0.00000 0.00000 -0.00006 -0.00005 -0.00001 X7 -2.14255 -0.00002 0.00000 0.00011 0.00010 -2.14245 Y7 -1.58246 0.00002 0.00000 0.00011 0.00012 -1.58234 Z7 -0.00009 0.00001 0.00000 0.00011 0.00013 0.00004 X8 -0.29929 0.00006 0.00000 0.00001 0.00002 -0.29927 Y8 2.64650 0.00004 0.00000 0.00008 0.00008 2.64658 Z8 0.00005 0.00000 0.00000 -0.00006 -0.00005 0.00000 X9 2.44185 0.00000 0.00000 -0.00001 -0.00002 2.44183 Y9 -1.06417 0.00001 0.00000 -0.00006 -0.00007 -1.06424 Z9 -0.00002 0.00000 0.00000 0.00003 0.00004 0.00002 X10 -2.51365 0.00015 0.00000 0.00018 0.00017 -2.51348 Y10 1.09550 -0.00008 0.00000 -0.00002 -0.00002 1.09549 Z10 0.00001 0.00000 0.00000 0.00000 0.00002 0.00002 X11 2.20563 -0.00019 0.00000 -0.00042 -0.00042 2.20521 Y11 1.62903 -0.00017 0.00000 -0.00035 -0.00036 1.62867 Z11 -0.00003 0.00000 0.00000 0.00002 0.00003 0.00000 X12 0.30803 -0.00001 0.00000 0.00004 0.00003 0.30806 Y12 -2.72436 0.00017 0.00000 0.00016 0.00016 -2.72420 Z12 0.00005 0.00000 0.00000 -0.00002 -0.00001 0.00004 Item Value Threshold Converged? Maximum Force 0.000194 0.000450 YES RMS Force 0.000066 0.000300 YES Maximum Displacement 0.000418 0.001800 YES RMS Displacement 0.000152 0.001200 YES Predicted change in Energy=-1.219283D-07 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1\1\GINC-CX1-15-36-2\Freq\RB3LYP\6-31G(d,p)\B3H6N3\SCAN-USER-1\23-Nov- 2012\0\\# freq b3lyp/6-31g(d,p) geom=connectivity\\borazine frequency\ \0,1\H,-2.425569,1.057151,0.000021\H,-1.945972,-1.43733,0.000025\H,0.2 97249,-2.629036,0.000109\H,2.217763,-0.966637,0.000023\H,2.128268,1.57 2085,-0.000053\H,-0.271803,2.403803,0.000021\N,-1.133788,-0.837401,-0. 000047\N,-0.158376,1.400465,0.000028\N,1.292171,-0.563133,-0.000013\B, -1.330168,0.579714,0.000004\B,1.167168,0.862044,-0.000015\B,0.163003,- 1.44167,0.000026\\Version=EM64L-G09RevC.01\State=1-A\HF=-242.6845872\R MSD=6.563e-09\RMSF=6.603e-05\ZeroPoint=0.0936199\Thermal=0.0988313\Dip ole=0.0000664,0.0000497,0.0000547\DipoleDeriv=-0.3263969,0.0852879,0.0 00003,0.0852967,-0.167823,0.0000021,0.0000004,-0.0000033,-0.1248902,0. 1465973,-0.0261614,0.0000051,-0.0261685,0.1626952,0.0000043,0.0000243, 0.0000214,0.2573681,-0.1336052,0.025966,0.0000002,0.026037,-0.3607449, 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WEIGHS 1/3 POUND PER FOOT. ON ONE END HANGS A MONKEY HOLDING A BANANA, AND ON THE OTHER END A WEIGHT EQUAL TO THE WEIGHT OF THE MONKEY. THE BANANA WEIGHS TWO OUNCES PER INCH. THE ROPE IS AS LONG AS THE AGE OF THE MONKEY, AND THE WEIGHT OF THE MONKEY (IN OUNCES) IS AS MUCH AS THE AGE OF THE MONKEY'S MOTHER. THE COMBINED AGES OF MONKEY AND MOTHER ARE THIRTY YEARS. HALF THE WEIGHT OF THE MONKEY, PLUS THE WEIGHT OF THE BANANA, IS ONE FOURTH AS MUCH AS THE WEIGHT OF THE WEIGHT AND THE ROPE. THE MONKEY'S MOTHER IS HALF AS OLD AS THE MONKEY WILL BE WHEN IT IS 3 TIMES AS OLD AS ITS MOTHER WAS WHEN SHE WAS HALF AS OLD AS THE MONKEY WILL BE WHEN IT IS AS OLD AS ITS MOTHER WILL BE WHEN SHE IS 4 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS TWICE AS OLD AS ITS MOTHER WAS WHEN SHE WAS ONE THIRD AS OLD AS THE MONKEY WAS WHEN IT WAS AS OLD AS ITS MOTHER WAS WHEN SHE WAS 3 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS AS OLD AS ITS MOTHER WAS WHEN SHE WAS 3 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS ONE FOURTH WAS OLD AS IT IS NOW. HOW LONG IS THE BANANA? Job cpu time: 0 days 0 hours 5 minutes 32.8 seconds. File lengths (MBytes): RWF= 24 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Fri Nov 23 13:18:16 2012.