%chk=000236995.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236995

0 1
S -0.732429 2.678152 0.211670
O -2.046279 -0.474527 2.023604
O 6.119750 0.076163 -0.629829
O 8.994253 -1.927226 -0.573445
O 8.632757 0.066243 -1.353744
N -0.065628 0.262526 1.066285
N 1.715417 1.555304 -0.015557
N 2.669937 0.591947 0.136532
N 8.287704 -0.958735 -0.798638
C -5.530738 0.618184 -0.466241
C -4.441835 0.884187 0.580420
C -6.776703 -0.006805 0.176190
C -3.194596 1.509860 -0.063499
C -7.870142 -0.274492 -0.866720
C -2.087955 1.721146 0.961816
C -9.115058 -0.900217 -0.223833
C -10.210812 -1.169127 -1.264969
C -1.459678 0.379014 1.424240
C -11.451997 -1.792264 -0.630095
C 0.436384 1.298200 0.467412
C 3.879317 0.814887 -0.308591
C 4.852870 -0.247412 -0.119223
C 4.852936 -1.510780 0.441569
C 6.904868 -1.056304 -0.354599
C 6.174987 -2.033808 0.290787
H -5.140712 -0.054268 -1.255385
H -5.805026 1.560307 -0.978809
H -4.168383 -0.064711 1.091984
H -4.834853 1.546691 1.375292
H -6.503466 -0.951976 0.685488
H -7.168141 0.659010 0.969341
H -3.470836 2.476895 -0.533610
H -2.838820 0.865727 -0.895272
H -7.479987 -0.943425 -1.658115
H -8.144337 0.668849 -1.376933
H -2.466315 2.268162 1.859525
H -9.506891 -0.234605 0.569050
H -8.842974 -1.844736 0.285734
H -10.486004 -0.225114 -1.774634
H -9.821090 -1.838049 -2.057176
H -11.886715 -1.138027 0.134099
H -12.228071 -1.981365 -1.380117
H -11.221672 -2.749449 -0.148373
H 1.903838 2.462416 -0.467594
H 4.262910 1.716066 -0.816042
H 4.013811 -2.007826 0.905342
H 6.527603 -3.000589 0.617864


%chk=000236995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236995

0 1
S -0.672689 2.788949 0.206248
O -1.981820 -0.408657 2.197655
O 6.190040 0.106691 -0.692507
O 9.105805 -1.972319 -0.605305
O 8.771271 0.110515 -1.531782
N 0.015273 0.295429 1.144952
N 1.755701 1.516674 0.037876
N 2.706484 0.535534 0.213722
N 8.372458 -0.934803 -0.882904
C -5.544155 0.545228 -0.439750
C -4.445419 0.821452 0.612227
C -6.837800 -0.032561 0.176922
C -3.174094 1.420315 -0.035902
C -7.939494 -0.308508 -0.871289
C -2.051054 1.729194 0.988596
C -9.236620 -0.884153 -0.259849
C -10.339382 -1.154005 -1.309283
C -1.348763 0.434128 1.521217
C -11.632072 -1.729016 -0.690904
C 0.471886 1.352179 0.516635
C 3.906503 0.776124 -0.286269
C 4.936655 -0.218586 -0.127465
C 5.002733 -1.484529 0.475936
C 7.016974 -0.985441 -0.420445
C 6.332288 -1.972800 0.287608
H -5.154867 -0.162531 -1.201100
H -5.785325 1.484653 -0.980812
H -4.192892 -0.109915 1.150095
H -4.835437 1.528731 1.373596
H -6.599079 -0.972880 0.715471
H -7.227250 0.672447 0.940793
H -3.448461 2.362713 -0.548416
H -2.781476 0.736347 -0.813031
H -7.550258 -1.014199 -1.634929
H -8.175873 0.632886 -1.410755
H -2.451732 2.297917 1.845553
H -9.626096 -0.181434 0.506380
H -9.003785 -1.828386 0.275596
H -10.571695 -0.210158 -1.843893
H -9.949153 -1.855969 -2.074453
H -12.056621 -1.032809 0.056834
H -12.404750 -1.911007 -1.460328
H -11.432885 -2.689005 -0.178263
H 1.978693 2.395334 -0.456159
H 4.189282 1.697583 -0.828238
H 4.176515 -1.975025 0.985054
H 6.753637 -2.918230 0.618266


