%chk=000182534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182534

0 1
S -3.622500 3.080411 -2.237407
S -6.329666 -0.579967 -0.245961
O 0.648970 -0.981805 1.365464
N 6.376416 0.102729 0.735566
N 0.356761 0.090282 -2.507954
N -0.556334 -0.035333 -0.312972
N -4.284549 0.940749 0.326206
N -4.252446 -1.363802 1.240002
N -2.169809 -0.352586 2.115959
N -2.634122 -2.689369 2.253038
C 4.087182 -0.375728 -0.033915
C 5.330147 -0.968388 0.653689
C 3.001719 -1.443927 -0.229294
C 1.736577 -0.850246 -0.773308
C 7.214077 -0.028895 1.973561
C 7.226208 0.121064 -0.502035
C 1.577611 -0.491080 -2.082182
C 0.636368 -0.654396 0.191554
C -0.688244 0.305910 -1.571239
C 6.404145 0.395713 3.199341
C 7.920022 1.477760 -0.637937
C -1.951827 0.937030 -2.093619
C 2.606477 -0.650096 -3.148605
C -2.091087 2.362721 -1.572664
C -4.776147 3.075035 -0.831387
C -5.164335 1.683131 -0.497132
C -6.299906 1.033410 -0.892718
C -4.744781 -0.293633 0.554497
C -3.033260 -1.411748 1.826944
H 4.362599 0.084554 -1.000012
H 3.695387 0.459113 0.583723
H 5.679179 -1.876829 0.120290
H 5.052000 -1.300590 1.679050
H 2.780988 -1.933290 0.748894
H 3.365956 -2.255002 -0.890528
H 7.616579 -1.054860 2.115088
H 8.093756 0.646145 1.868995
H 7.978863 -0.696614 -0.520774
H 6.564593 -0.036577 -1.382507
H 0.246398 0.363421 -3.482820
H 7.036139 0.449621 4.090825
H 5.580748 -0.296902 3.409528
H 5.951257 1.384836 3.043485
H 8.410145 1.575743 -1.610972
H 8.678041 1.629860 0.139095
H 7.195335 2.297535 -0.535997
H -2.823784 0.324320 -1.735661
H -2.013039 0.903557 -3.200318
H 3.158675 0.289780 -3.313794
H 2.188214 -0.967493 -4.114177
H 3.360742 -1.408314 -2.872835
H -2.107645 2.368668 -0.459490
H -1.251011 3.006909 -1.891234
H -5.649934 3.685996 -1.143099
H -4.323423 3.588431 0.043761
H -7.095575 1.399846 -1.512170
H -1.161910 -0.557709 2.203839
H -2.312190 0.507073 1.570550
H -3.350045 -3.407989 2.278910
H -1.933706 -2.763489 2.976864


%chk=000182534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182534

0 1
S -4.228847 2.094394 -2.606281
S -6.579155 0.138420 1.756673
O 0.826713 -0.899843 0.673828
N 6.235423 0.024545 1.030055
N 0.587010 -0.004130 -3.272388
N -0.393182 -0.043037 -1.116956
N -4.240125 0.978381 0.735524
N -4.066057 -0.747774 2.484589
N -1.898089 -0.250330 1.561038
N -2.179388 -1.840749 3.281259
C 4.109455 -0.374737 -0.261138
C 5.288664 -0.997249 0.517377
C 3.177365 -1.466848 -0.859944
C 1.928880 -0.881050 -1.481563
C 6.878693 -0.363956 2.314355
C 7.213023 0.464709 -0.000721
C 1.802701 -0.553987 -2.824782
C 0.785625 -0.618595 -0.575904
C -0.475516 0.228464 -2.408675
C 5.927014 -0.242039 3.520016
C 7.757819 1.884526 0.248731
C -1.769076 0.764072 -2.998376
C 2.857902 -0.722732 -3.892027
C -2.455000 1.755389 -2.040744
C -4.912328 2.744466 -0.930991
C -5.257735 1.693186 0.080208
C -6.553055 1.393752 0.472836
C -4.714850 0.108555 1.657420
C -2.722746 -0.913278 2.413698
H 4.487253 0.280168 -1.071659
H 3.533765 0.267446 0.428709
H 5.808498 -1.753283 -0.127797
H 4.873162 -1.556246 1.376220
H 2.856026 -2.131948 -0.036562
H 3.740335 -2.085152 -1.584643
H 7.297139 -1.402101 2.264265
H 7.738428 0.310883 2.478020
H 8.065551 -0.257575 -0.088888
H 6.696932 0.455691 -0.979221
H 0.482982 0.231084 -4.262493
H 6.448400 -0.521018 4.454874
H 5.045788 -0.900917 3.418668
H 5.562938 0.795837 3.611380
H 8.456592 2.178473 -0.557075
H 8.305186 1.954669 1.205946
H 6.925826 2.609137 0.281308
H -2.453394 -0.093621 -3.157696
H -1.587918 1.224903 -3.989727
H 3.089733 0.245058 -4.376348
H 2.521303 -1.422300 -4.681115
H 3.792140 -1.115208 -3.468348
H -2.525116 1.308231 -1.039849
H -1.902770 2.709550 -1.985398
H -5.801295 3.329903 -1.213543
H -4.140545 3.433035 -0.546536
H -7.480962 1.825809 0.104147
H -0.908101 -0.498082 1.392205
H -2.361617 0.418412 0.929289
H -2.821561 -2.337221 3.892342
H -1.178837 -2.011445 3.324409


