%chk=000299033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299033

0 1
S -1.021157 0.796181 -1.795552
O -0.560232 -0.337793 0.554313
N -2.751499 -0.079674 0.095517
C -3.027587 -0.708401 1.420322
C -3.923035 0.321046 -0.739653
C -1.485453 0.115557 -0.354533
C 0.813961 -0.135938 0.234534
C 2.901884 -1.099855 -0.420182
C 2.789257 1.201362 0.392019
C -3.199319 -2.218664 1.290257
C -4.342242 1.756913 -0.443071
C 1.400545 1.082339 0.568217
C 1.513689 -1.237081 -0.253587
C 3.530014 0.112282 -0.093851
C 3.694728 -2.245808 -0.957710
C 3.462231 2.494605 0.716285
H -2.182237 -0.476507 2.114112
H -3.939489 -0.240263 1.852633
H -3.665289 0.210794 -1.822967
H -4.755914 -0.387341 -0.533912
H -4.023289 -2.488203 0.619668
H -2.289955 -2.690944 0.891549
H -3.401859 -2.675598 2.266286
H -4.598206 1.910828 0.610287
H -3.536604 2.465632 -0.690956
H -5.213377 2.040771 -1.045647
H 0.799164 1.911448 0.927894
H 0.995519 -2.155676 -0.509281
H 4.603907 0.212862 -0.229854
H 3.426295 -3.193142 -0.469930
H 4.776740 -2.111836 -0.832012
H 3.507180 -2.372775 -2.035551
H 3.166649 2.870291 1.705840
H 4.557034 2.419792 0.711253
H 3.187045 3.268096 -0.018037


%chk=000299033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299033

0 1
S -1.216819 1.148344 -1.851432
O -0.590719 -0.447899 0.321078
N -2.807531 -0.023550 0.064747
C -3.016430 -0.819734 1.304921
C -4.018913 0.495021 -0.617555
C -1.564767 0.221793 -0.457207
C 0.807562 -0.217710 0.123083
C 3.002376 -1.193876 -0.281951
C 2.770790 1.213266 0.266054
C -3.163550 -2.329636 1.021226
C -4.409795 1.904918 -0.129378
C 1.367473 1.051022 0.359709
C 1.595260 -1.338006 -0.191025
C 3.569647 0.083827 -0.048444
C 3.875495 -2.384756 -0.639369
C 3.398735 2.578842 0.487120
H -2.166770 -0.645342 1.983106
H -3.928232 -0.425926 1.791276
H -3.814660 0.518722 -1.701810
H -4.836595 -0.225988 -0.430047
H -4.001175 -2.530040 0.328690
H -2.236706 -2.725110 0.573184
H -3.357723 -2.876864 1.961914
H -4.596222 1.919921 0.960115
H -3.602167 2.619451 -0.362215
H -5.330103 2.241434 -0.640558
H 0.719296 1.899468 0.600027
H 1.111058 -2.305094 -0.362921
H 4.658408 0.203511 -0.114054
H 3.611000 -3.275835 -0.041137
H 4.943984 -2.166233 -0.470574
H 3.755658 -2.659794 -1.704893
H 2.999209 3.066401 1.395086
H 4.494971 2.507702 0.592680
H 3.187052 3.253049 -0.364752


