%chk=000113978.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113978 0 1 S 0.8933000 -0.8622000 2.1700000E-02 N -2.643800 1.243300 -5.8699999E-02 N 3.520100 -0.7158000 -2.0099999E-02 N 2.378600 1.351800 7.1000000E-03 C -1.824000 2.0099999E-02 3.0000001E-04 C -0.3471000 0.4740000 4.5000002E-02 C -2.143400 -0.8033000 -1.256100 C -2.227000 -0.7651000 1.258300 C 2.393400 5.7200000E-02 2.4000001E-03 H -0.1757000 1.074900 0.9469000 H -0.1439000 1.117700 -0.8203000 H -1.632500 -1.771900 -1.246800 H -1.842700 -0.2753000 -2.168600 H -3.217300 -1.013000 -1.333800 H -3.298500 -0.9988000 1.256200 H -1.691000 -1.717500 1.328800 H -2.014600 -0.1934000 2.169200 H -3.632400 0.9978000 -0.1028000 H -2.441100 1.756800 -0.9159000 H 4.445600 -0.3015000 -3.4000002E-02 H 3.463400 -1.728400 -2.3900000E-02 H 3.345800 1.693700 -7.4000000E-03 %chk=000113978-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000113978 0 1 S 0.925773 -0.536334 1.123872 N -2.666354 1.235170 -0.001367 N 3.294414 -0.800549 -0.107280 N 1.852568 0.939824 -1.013182 C -1.737002 0.074737 0.139599 C -0.468925 0.691954 0.789379 C -1.406006 -0.591182 -1.224599 C -2.403493 -0.945087 1.090390 C 2.140104 -0.026221 -0.187011 H -0.726604 1.146744 1.758505 H -0.005220 1.441761 0.120435 H -0.737473 -1.462299 -1.100129 H -0.898020 0.128530 -1.892195 H -2.339283 -0.934654 -1.709736 H -3.321617 -1.363736 0.634298 H -1.717000 -1.784270 1.299749 H -2.677727 -0.458969 2.043649 H -3.640131 0.952036 -0.163265 H -2.353044 1.915018 -0.705472 H 4.060592 -0.649771 -0.760144 H 3.400743 -1.512664 0.613336 H 2.588903 1.181061 -1.701333