%chk=000201330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201330

0 1
S -2.193140 -2.458984 0.695212
O -0.998001 0.879158 -1.034422
N -6.373940 1.092903 0.468071
C 3.844467 0.670136 -0.548126
C 5.041326 0.544883 0.404170
C 2.515547 0.672400 0.219418
C 6.369865 0.542195 -0.363651
C 1.323636 0.795309 -0.735251
C 7.568727 0.416616 0.587093
C 0.003970 0.798533 0.032164
C 8.893755 0.413397 -0.172083
C -2.309540 0.912936 -0.563172
C -3.057440 -0.283400 -0.524214
C -2.422118 -1.580951 -0.888047
C -2.880900 2.149772 -0.241297
C -4.403119 -0.216324 -0.152621
C -4.986913 1.025458 0.176355
C -4.220815 2.210837 0.131802
C -1.181703 -3.896718 0.191718
C -0.954285 -4.714509 1.445199
H 3.934997 1.597320 -1.146818
H 3.856053 -0.161382 -1.279130
H 5.030581 1.377373 1.133965
H 4.951033 -0.381893 1.002949
H 2.426079 -0.254752 0.818854
H 2.504482 1.506565 0.947924
H 6.382616 -0.289087 -1.094474
H 6.462198 1.468679 -0.962459
H 1.399651 1.718791 -1.344108
H 1.320683 -0.034442 -1.470237
H 7.478949 -0.511003 1.185582
H 7.558764 1.249473 1.317218
H -0.168706 -0.128860 0.604390
H -0.111204 1.675870 0.688220
H 9.032129 1.336528 -0.746377
H 9.743189 0.323723 0.514160
H 8.952580 -0.422759 -0.878062
H -1.446529 -1.421131 -1.395928
H -3.054989 -2.175122 -1.573205
H -2.273138 3.051748 -0.297088
H -5.000394 -1.125727 -0.122753
H -4.675039 3.168537 0.370443
H -0.228280 -3.551240 -0.247392
H -1.712925 -4.478939 -0.582651
H -6.795075 0.238725 0.805737
H -6.672922 1.894042 1.005586
H -0.423992 -4.145756 2.222064
H -1.897030 -5.066232 1.888055
H -0.348741 -5.605300 1.228915


%chk=000201330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201330

0 1
S -1.932054 -2.428832 0.841816
O -1.112265 0.790438 -1.117401
N -6.440870 1.257483 0.756786
C 3.854144 0.574227 -0.528809
C 5.059640 0.633252 0.436293
C 2.493997 0.762435 0.180404
C 6.420010 0.442047 -0.271523
C 1.296149 0.694839 -0.794806
C 7.625679 0.497098 0.694577
C -0.045237 0.869446 -0.081047
C 8.980893 0.303119 -0.019546
C -2.434875 0.901749 -0.606885
C -3.226548 -0.267933 -0.435014
C -2.654026 -1.627027 -0.745503
C -2.986763 2.173410 -0.335661
C -4.560437 -0.130971 0.014562
C -5.121403 1.142995 0.306308
C -4.313107 2.301789 0.118974
C -1.129371 -3.949134 0.035927
C -0.486587 -4.825716 1.121302
H 3.970814 1.353664 -1.310467
H 3.857435 -0.400530 -1.060011
H 5.056956 1.608431 0.967249
H 4.941141 -0.145771 1.218542
H 2.379113 -0.015538 0.963684
H 2.490017 1.739165 0.708268
H 6.423503 -0.532233 -0.804149
H 6.541571 1.222146 -1.052194
H 1.394343 1.477514 -1.572189
H 1.293885 -0.279818 -1.321122
H 7.502027 -0.281675 1.474884
H 7.622082 1.471123 1.225529
H -0.213744 0.068785 0.668202
H -0.103197 1.855536 0.427208
H 9.140993 1.086353 -0.784616
H 9.825588 0.348543 0.692502
H 9.022432 -0.677150 -0.531211
H -1.821922 -1.539572 -1.461926
H -3.424640 -2.316755 -1.128784
H -2.370137 3.063791 -0.502036
H -5.170296 -1.034047 0.146926
H -4.729541 3.296027 0.322325
H -0.377806 -3.592841 -0.690730
H -1.917119 -4.501594 -0.506871
H -7.012774 0.432585 0.908220
H -6.841352 2.166374 0.966323
H 0.292150 -4.270259 1.674004
H -1.240727 -5.174746 1.848924
H -0.013365 -5.714824 0.664456


