%chk=000217434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217434

0 1
S -6.949557 0.495906 -1.581807
O 0.780840 0.345518 0.128147
O 2.583073 2.101018 0.251490
N -5.306222 -0.392374 0.348365
C -4.064312 0.448187 0.306663
C -6.443065 0.294648 1.036942
C -2.848016 -0.481398 0.152632
C -5.768172 -0.806131 -0.985854
C -7.204875 1.213890 0.074485
C -1.545558 0.320339 0.196365
C -0.332702 -0.598787 0.058421
C 2.051765 -0.173072 0.029118
C 4.757230 -0.901681 -0.145743
C 3.078939 0.825789 0.098346
C 2.398355 -1.508014 -0.122928
C 4.414444 0.461396 0.011961
C 6.208924 -1.292998 -0.235193
C 3.757556 -1.867440 -0.209282
C 6.809257 -1.499026 1.155409
C 3.547656 3.178902 0.325441
H -4.081352 1.206875 -0.505788
H -3.980192 1.011868 1.261382
H -7.116040 -0.506049 1.423595
H -6.077239 0.848622 1.925523
H -2.918332 -1.048704 -0.795625
H -2.864031 -1.243626 0.958501
H -6.316438 -1.767574 -0.904375
H -4.951488 -0.925140 -1.721003
H -6.822501 2.248556 0.086311
H -8.283868 1.254039 0.298723
H -1.462625 0.895293 1.141846
H -1.520448 1.084555 -0.607905
H -0.242677 -1.317056 0.890082
H -0.297263 -1.119616 -0.912588
H 1.642505 -2.285448 -0.176659
H 5.204000 1.203977 0.067035
H 6.782967 -0.518564 -0.783892
H 6.323620 -2.219249 -0.834860
H 4.014322 -2.917994 -0.324823
H 6.282401 -2.289751 1.703487
H 7.865562 -1.781237 1.095114
H 6.739575 -0.586903 1.760095
H 4.192535 3.055270 1.199723
H 4.123149 3.241067 -0.602221
H 2.891796 4.051819 0.440543


%chk=000217434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217434

0 1
S -6.937847 0.563442 -1.713475
O 0.774182 0.504034 0.124694
O 2.770285 2.243871 0.248894
N -5.413104 -0.488662 0.355128
C -4.182039 0.354623 0.364235
C -6.589660 0.132377 1.008281
C -2.900748 -0.484358 0.187326
C -5.841586 -0.922344 -0.952004
C -7.206337 1.210513 0.049411
C -1.631312 0.396686 0.219139
C -0.356786 -0.436337 0.066409
C 2.064015 -0.035992 0.020566
C 4.771698 -0.938018 -0.173176
C 3.144419 0.902035 0.089027
C 2.356788 -1.405971 -0.146045
C 4.474511 0.442908 -0.007853
C 6.219657 -1.407227 -0.233598
C 3.698700 -1.849995 -0.243179
C 6.888821 -1.471962 1.165761
C 3.846493 3.231307 0.330485
H -4.230353 1.141882 -0.424250
H -4.139408 0.868343 1.342906
H -7.342750 -0.655779 1.192692
H -6.299227 0.570142 1.978469
H -2.943158 -1.037864 -0.772686
H -2.866594 -1.245159 0.991247
H -6.521977 -1.784232 -0.894649
H -5.007032 -1.111189 -1.640401
H -6.695673 2.182454 0.147243
H -8.286007 1.336966 0.226777
H -1.575762 0.954864 1.173405
H -1.663894 1.149296 -0.591567
H -0.268436 -1.181855 0.885320
H -0.347617 -0.976603 -0.904450
H 1.546250 -2.138127 -0.205603
H 5.302379 1.158726 0.039983
H 6.810216 -0.729206 -0.881198
H 6.264841 -2.409047 -0.701382
H 3.902452 -2.918942 -0.375860
H 6.350225 -2.176052 1.825413
H 7.940568 -1.805015 1.088219
H 6.877219 -0.480862 1.655016
H 4.509223 3.037491 1.197221
H 4.450577 3.251114 -0.598280
H 3.337284 4.197424 0.461592


