%chk=/work/lmt09/bchdt/oniom_nroot2_cas631gd_am1_con_dir %mem=800mb # nonstd 1/9=11,11=1,14=-1,18=20,19=9,26=1,38=1,52=2/1,3; 2/9=110,12=2,15=1,17=6,18=5,40=1/2; 1/9=11,11=1,14=-1,18=20,19=9,38=1,52=2,53=3172/20; 3/5=2,16=1,25=1,41=700000,71=1,116=-2/1,2,3; 4/5=1,17=6,18=6,35=1/1; 5/5=2,17=30000000,35=1,38=6/2; 6/7=3,28=1/1; 7/7=1,30=1,33=-1/1,2,3,16; 1/9=11,11=1,14=-1,18=20,19=9,52=2,53=2032/20; 3/5=1,6=6,7=1,16=1,25=1,32=1,71=1,116=101/1,2,3; 4/5=1,17=6,18=6/1,5; 5/5=2,17=31000200,28=2,38=6/10; 8/6=4,10=90,11=11/1; 11/31=1,42=1,45=1/1; 10/10=900005,28=2,31=1/3; 6/7=3/1; 7/7=1,30=1,33=-1/16; 1/9=11,11=1,14=-1,18=20,19=9,52=2,53=1022/20; 3/5=2,16=1,25=1,41=700000,71=1,116=-2/1,2,3; 4/5=1,17=6,18=6,35=1/1; 5/5=2,17=30000000,35=1,38=6/2; 6/7=3,28=1/1; 7/7=1,30=1,33=-1/1,2,3,16; 1/9=11,11=1,14=-1,18=20,19=9,52=2,53=3015/20; 7/9=1,44=-1/16; 1/9=11,11=1,14=-1,18=20,19=9,52=2/3(2); 2/9=110,15=1/2; 99//99; 2/9=110,15=1/2; 1/9=11,11=1,14=-1,18=20,19=9,52=2,53=3173/20; 3/5=2,16=1,25=1,41=700000,71=1,135=20/1,2,3; 4/5=5,16=3,17=6,18=6,35=1/1; 5/5=2,17=30000000,35=1,38=5/2; 7/7=1,30=1,33=-1/1,2,3,16; 1/9=11,11=1,14=-1,18=20,19=9,52=2,53=2033/20; 3/5=1,6=6,7=1,16=1,25=1,32=1,71=1,116=101/1,2,3; 4/5=5,16=3,17=6,18=6/1,5; 5/5=2,17=31000200,23=1,28=2,38=5/10; 8/6=4,10=90,11=11/1; 11/31=1,42=1,45=1/1; 10/10=900005,28=2,31=1/3; 7/7=1,30=1,33=-1/16; 1/9=11,11=1,14=-1,18=20,19=9,52=2,53=1023/20; 3/5=2,16=1,25=1,41=700000,71=1,135=20/1,2,3; 4/5=5,16=3,17=6,18=6,35=1/1; 5/5=2,17=30000000,35=1,38=5/2; 7/7=1,30=1,33=-1/1,2,3,16; 1/9=11,11=1,14=-1,18=20,19=9,52=2,53=3015/20; 7/9=1,44=-1/16; 1/9=11,11=1,14=-1,18=20,19=9,52=2/3(-21); 2/9=110,15=1/2; 99//99; # #p oniom(CAS(6,6,nroot=2)/6-31G(d):am1) guess=read nosymm pop=full opt=conical 0 1 0 1 0 1 C 0 -0.40412905 1.54410104 1.75083544 L H 38 H 0 -0.49016605 0.47268117 1.42218960 L H 0 -1.37600996 1.81403500 2.24843179 L C 0 -0.23523577 2.42364709 0.51906447 L H 0 -0.33084345 3.49983560 0.82236654 L H 0 -1.08440098 2.19969910 -0.18007346 L C 0 1.07930248 2.21382069 -0.21153414 L H 0 1.47104753 1.18565813 0.01027110 L H 0 0.90483107 2.27058219 -1.31804161 L C 0 2.11636716 3.24736706 0.18097491 L H 0 2.17741263 3.28650514 1.30331511 L H 0 1.78183605 4.26146021 -0.16271846 L C 0 3.49023130 2.95105477 -0.38830085 L H 0 3.58412986 3.42607654 -1.39985396 L H 0 3.61986249 1.84602561 -0.53224554 L C 0 4.59390959 3.47157876 0.51651773 L H 0 5.52919056 3.61800584 -0.08472767 L H 0 4.30093398 4.47795474 0.91651395 L C 0 4.87514155 2.51551139 1.65939329 L H 0 3.93707047 1.94877346 1.91188685 L H 0 5.63542549 1.75815670 1.33258587 L C 0 5.36731593 3.21811648 2.90915056 L H 0 6.37643059 3.66382715 2.70653446 L H 0 4.67512986 4.06495124 3.16121160 L C 0 5.46119345 2.27113124 4.09246154 L H 0 5.59721746 1.21972915 3.72455626 L H 0 6.36923214 2.52993900 4.69950354 L C 0 4.25392755 2.32009387 5.01955010 L H 31 H 0 4.39461118 1.54838398 5.82557321 L H 0 4.22654338 3.32290169 5.52646329 L C 0 2.98315334 2.07322179 4.31515828 H C 0 2.72820043 0.82436017 3.72879581 H C 0 2.04536557 3.10452643 4.15973039 H C 0 1.60118110 0.63731573 2.92935142 H H 0 3.43174609 0.02055433 3.85751028 H C 0 0.91111641 2.91312619 3.37162661 H H 0 2.21809779 4.06161642 4.62008715 H C 0 0.98742451 2.16362216 2.18803207 H H 0 1.44251811 -0.31131270 2.44694406 H H 0 -0.01677866 3.38302070 3.64705494 H 1 2 1.0 3 1.0 4 1.0 38 1.0 2 3 4 5 1.0 6 1.0 7 1.0 5 6 7 8 1.0 9 1.0 10 1.0 8 9 10 11 1.0 12 1.0 13 1.0 11 12 13 14 1.0 15 1.0 16 1.0 14 15 16 17 1.0 18 1.0 19 1.0 17 18 19 20 1.0 21 1.0 22 1.0 20 21 22 23 1.0 24 1.0 25 1.0 23 24 25 26 1.0 27 1.0 28 1.0 26 27 28 29 1.0 30 1.0 31 1.0 29 30 31 32 1.5 33 1.5 32 34 1.5 35 1.0 33 36 2.0 37 1.0 34 38 1.5 39 1.0 35 36 38 1.5 40 1.0 37 38 39 40