# Sym Shielding Description C 192.2165 "TMS B3LYP/6-31G(d,p) Dichloromethane" C 192.1702 "TMS B3LYP/6-31G(d,p) Chloroform" C 192.0658 "TMS B3LYP/6-31G(d,p) Benzene" C 192.2459 "TMS B3LYP/6-31G(d,p) Acetone" C 199.9853 "TMS HF/6-31G(d) GIAO" C 182.4656 "TMS B3LYP/6-311+G(2d,p) GIAO" C 184.3689 "TMS B3LYP/cc-pVTZ GIAO" C 187.1961 "TMS mPW1PW91/aug-cc-pvtz GIAO" C 193.8599 "TMS mPW1PW91/aug-cc-pvdz CDCl3 GIAO" C 193.7716 "TMS mPW1PW91/aug-cc-pvdz BENZENE GIAO" C 196.4939 "TMS mPW1PW91/cc-pvdz CDCl3 GIAO" C 187.5812 "TMS mPW1PW91/aug-cc-pvtz CDCl3 GIAO" C 196.9179 "TMS mPW1PW91/6-31G(d,p) GIAO" C 196.84 "Adamantane mPW1PW91/6-31G(d,p) GIAO" C 195.14 "Adamantane mPW1PW91/cc-pVDZ GIAO" C 196.5915 "TMS mPW1PW91/6-31G(d,p) CDCl3 GIAO" C 196.6344 "TMS mPW1PW91/6-31G(d,p) CD2Cl2 GIAO" C 197.8445 "TMS KMLYP/6-31G(d,p) CDCl3 GIAO" C 197.8850 "TMS KMLYP/6-31G(d,p) CD2Cl2 GIAO" C 188.8440 "TMS mPW1PW91/aug-cc-pwcvdz CDCl3 GIAO" C 197.0259 "TMS mPW1PW91/6-31+G(d,p) CDCl3 GIAO" C 197.2041 "TMS wB97XD/cc-pVDZ CDCl3 GIAO" C 199.1 "CH4 HF/6-31G(d) GIAO" C 190.2254 "TMS wB97XD/6-311G(d,p) CDCl3 GIAO" C 189.9176 "TMS wB97XD/6-311++G(d,p) CDCl3 GIAO" C 181.284 "TMS b3lyp/6-311++G(d,p) DCM" C 190.3517 "TMS wB97XD/6-311G(d,p) D2O GIAO" C 190.2770 "TMS wB97XD/6-311G(d,p) DCM GIAO" C 190.2860 "TMS wB97XD/6-311G(d,p) ODCB GIAO" C 189.8673 "TMS wB97XD/6-311+G(2df) Si only/Toluene" C 189.2813 "TMS M062X/6-311+G(2df) Si only/Toluene" C 189.6426 "TMS M062X/6-311G++(d,p) DCM" C 187.2513 "TMS wB97XD/6-311G++(d,p) DCM" C 187.8780 "TMS wB97XD/aug-PCS-1 CDCl3" H 31.7445 "TMS B3LYP/6-31G(d,p) Dichloromethane" H 31.7462 "TMS B3LYP/6-31G(d,p) Chloroform" H 31.7499 "TMS B3LYP/6-31G(d,p) Benzene" H 31.7434 "TMS B3LYP/6-31G(d,p) Acetone" H 32.0277 "TMS M062X/6-311+G(2df) Si only/Toluene" H 31.4775 "TMSTMS wB97XD/aug-PCS-1 CDCl3" H 32.5976 "TMS HF/6-31G(d) GIAO" H 31.8821 "TMS B3LYP/6-311+G(2d,p) GIAO" H 31.7337 "TMS B3LYP/cc-pVTZ GIAO" H 31.6805 "TMS mPW1PW91/aug-cc-pvtz GIAO" H 31.6739 "TMS mPW1PW91/aug-cc-pvtz CDCl3 GIAO" H 31.5221 "TMS mPW1PW91/aug-cc-pvdz CDCl3 GIAO" H 31.5342 "TMS mPW1PW91/aug-cc-pvdz Benzene GIAO" H 31.3281 "TMS mPW1PW91/cc-pvdz CDCl3 GIAO" H 31.8472 "TMS mPW1PW91/6-31G(d,p) GIAO" H 31.7324 "TMS mPW1PW91/6-31G(d,p) CDCl3 GIAO" H 31.5276 "TMS mPW1PW91/aug-cc-pwcvdz CDCl3 GIAO" H 31.6313 "TMS mPW1PW91/6-31+G(d,p) CDCl3 GIAO" H 31.8074 "TMS KMLYP/6-31+G(d,p) CDCl3 GIAO" H 31.8065 "TMS KMLYP/6-31+G(d,p) CD2Cl2 GIAO" H 31.3751 "TMS wB97XD/cc-pVDZ CDCl3 GIAO" H 31.9795 "TMS wB97XD/6-311G(d,p) CDCl3 GIAO" H 31.9795 "TMS wB97XD/6-311G(d,p) CDCl3 GIAO" H 31.9540 "TMS wB97XD/6-311++G(d,p) H2O GIAO" H 31.9763 "TMS wB97XD/6-311G(d,p) ODCB GIAO" H 31.9764 "TMS wB97XD/6-311G(d,p) DCM GIAO" H 32.0616 "TMS M062X/6-311G++(d,p) DCM GIAO" H 31.9470 "TMS wB97XD/6-311G++(d,p) DCM GIAO" H 31.9764 "TMS wB97XD/6-311G(d,p) DCM GIAO" H 31.9656 "TMS b3lyp/6-311++G(d,p) DCM" Si 449.7802 "TMS HF/6-31G(d) GIAO" Si 327.3890 "TMS B3LYP/6-311+G(2d,p) GIAO" Si 415.1275 "TMS B3LYP/6-31G(d) GIAO Benzene" Si 333.1705 "TMS B3LYP/6-311+G(2df) Si only/Benzene" Si 344.55 "TMS wB97XD/6-311+G(2df) Si only/Toluene" Si 353.651 "TMS wB97XD/6-311++G(d,p) CDCl3" Si 335.095 "TMS M062X/6-311+G(2df) Si only/Toluene" Si 415.5516 "TMS mPW1PW91/6-31G(d,p) Benzene GIAO" N 260.8 "NH3 HF/6-31G(d) GIAO" N 258.4 "NH3 B3LYP/6-311+G(2d,p) GIAO" N 266.4065 "NH3 mPW1PW91/6-31G(d,p) GIAO" N 221.21 "NH4NO3 mPW1PW91/6-31G(d,p) GIAO" O 323.1 "H2O HF/6-31G(d) GIAO" O 320.0 "H2O B3LYP/6-311+G(2d,p) GIAO" B 106.7 "B2H6 HF/6-31G(d) GIAO" B 83.6 "B2H6 B3LYP/6-311+G(2d,p) GIAO"