%chk=000274524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274524

0 1
S 1.755632 -1.828047 -1.268374
O 2.377842 -2.006978 -2.569219
O 1.525899 -2.989433 -0.445538
N -0.529121 -0.777905 -0.621991
N 0.224561 -1.116277 -1.716965
C -3.161563 1.365966 0.394587
C -4.331328 0.546785 -0.276177
C -2.470121 -0.041286 0.585137
C -3.887654 -0.688407 0.563234
C -4.030600 0.262331 -1.754423
C -1.782278 -0.438150 -0.704338
C -2.652508 -0.419293 -1.950414
C -3.580004 1.987217 1.728463
C -2.430209 2.410723 -0.430084
C 2.569519 -0.604745 -0.383567
C 2.220027 -0.340591 0.945171
C 3.594385 0.130065 -0.994995
C 2.894193 0.647847 1.665113
C 4.270953 1.116968 -0.282074
C 3.924114 1.382777 1.056364
C 4.657285 2.438377 1.814316
H -5.344540 0.924575 -0.113244
H -1.859606 -0.180106 1.483499
H -3.970603 -1.664406 0.079768
H -4.359269 -0.766135 1.547327
H -4.069672 1.205699 -2.329857
H -4.823219 -0.384933 -2.173400
H -2.112922 0.087096 -2.775268
H -2.808203 -1.466728 -2.281684
H -2.706893 2.333813 2.292853
H -4.120423 1.284145 2.371251
H -4.235301 2.851163 1.571222
H -1.566307 2.806701 0.118622
H -3.087288 3.253428 -0.672043
H -2.039436 2.022719 -1.376453
H -0.225826 -1.366046 -2.608140
H 1.413983 -0.908593 1.424939
H 3.867717 -0.076541 -2.037345
H 2.617863 0.845397 2.698684
H 5.068515 1.682393 -0.759513
H 4.631618 3.404327 1.288265
H 4.247883 2.609230 2.818983
H 5.717603 2.170455 1.941409


%chk=000274524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274524

0 1
S 1.762897 -1.971205 -1.051245
O 2.425561 -2.346299 -2.490882
O 1.453201 -3.109471 0.069889
N -0.637973 -0.758649 -0.469089
N 0.156453 -1.007887 -1.586014
C -3.379948 1.343230 0.402454
C -4.474475 0.597666 -0.472312
C -2.730576 -0.106310 0.582082
C -4.173903 -0.699247 0.358645
C -3.989132 0.388438 -1.925836
C -1.904144 -0.438246 -0.633229
C -2.611296 -0.359054 -1.988107
C -3.962341 1.874955 1.731135
C -2.523647 2.445513 -0.244739
C 2.734432 -0.591416 -0.236112
C 2.656014 -0.463186 1.157887
C 3.520700 0.238381 -1.052000
C 3.412062 0.566518 1.762897
C 4.266525 1.256249 -0.421863
C 4.221415 1.437023 0.987966
C 5.038548 2.534402 1.645536
H -5.498251 1.010678 -0.446180
H -2.185437 -0.322013 1.513522
H -4.243833 -1.666078 -0.167656
H -4.749137 -0.760558 1.295294
H -3.906295 1.368772 -2.430662
H -4.748139 -0.192775 -2.482452
H -1.935481 0.127874 -2.719634
H -2.764396 -1.393633 -2.363331
H -3.148497 2.168729 2.420619
H -4.592926 1.133704 2.251954
H -4.584373 2.771183 1.543154
H -1.714746 2.755886 0.443444
H -3.140106 3.338934 -0.462529
H -2.043956 2.126484 -1.185418
H -0.244797 -1.608300 -2.342946
H 2.037278 -1.150150 1.743035
H 3.557095 0.079179 -2.134375
H 3.370834 0.692966 2.850587
H 4.892977 1.918048 -1.031365
H 4.813775 3.522023 1.202273
H 4.840461 2.595651 2.728789
H 6.122273 2.357589 1.510914


