%chk=000221226.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221226

0 1
S 0.498369 1.662361 -0.022165
O 0.709065 2.672524 -1.051950
O 0.827613 2.008305 1.350301
N 1.411088 0.254523 -0.470534
N -5.123278 -0.124084 -0.282517
C 3.377541 -1.270692 -0.402270
C 2.880344 0.185853 -0.147154
C 4.879535 -1.384711 -0.081580
C 3.112614 -1.697849 -1.856381
C 3.152710 0.559287 1.323503
C 5.162619 -0.991728 1.372827
C 4.641646 0.420770 1.662587
C 1.618907 -1.573307 -2.163426
C 1.131957 -0.142669 -1.888980
C -1.125053 1.114248 -0.112127
C -1.575025 0.096223 0.743541
C -2.015184 1.708936 -1.015184
C -2.893295 -0.337902 0.707657
C -3.799449 0.273066 -0.215081
C -3.378968 -1.421002 1.628906
C -3.339326 1.298758 -1.082493
C -4.585210 -2.161287 1.036096
C -5.674559 -1.162590 0.620900
H 2.808828 -1.949757 0.278716
H 3.448972 0.885241 -0.814960
H 5.465616 -0.741336 -0.765017
H 5.224384 -2.418750 -0.266373
H 3.450377 -2.738116 -2.015998
H 3.701269 -1.075265 -2.556192
H 2.541360 -0.071012 1.997152
H 2.833693 1.602469 1.545907
H 6.247874 -1.046217 1.576434
H 4.684688 -1.716383 2.059632
H 4.798965 0.671137 2.729094
H 5.227559 1.163768 1.087452
H 1.413495 -1.840453 -3.216173
H 1.045050 -2.287848 -1.540491
H 1.609190 0.564356 -2.607517
H 0.033960 -0.099361 -2.069612
H -0.874325 -0.361850 1.450231
H -1.661024 2.509881 -1.677966
H -2.566372 -2.144694 1.842436
H -3.649587 -0.971602 2.608259
H -4.018311 1.768085 -1.786796
H -4.262770 -2.758443 0.159457
H -4.993899 -2.882401 1.767928
H -6.507240 -1.685617 0.101477
H -6.104789 -0.668652 1.524193
H -5.751325 0.292190 -0.956149


%chk=000221226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221226

0 1
S 0.508375 1.279010 0.588283
O 0.910589 2.578558 -0.330530
O 0.628483 1.350113 2.212358
N 1.522379 -0.293218 -0.030782
N -5.278163 -0.043961 -0.623876
C 3.750319 -1.253336 -0.511088
C 2.998627 0.030351 -0.018769
C 5.279901 -1.008013 -0.498949
C 3.260456 -1.700470 -1.905111
C 3.498998 0.440971 1.384338
C 5.793158 -0.578233 0.891799
C 5.028329 0.668986 1.387868
C 1.730295 -1.868362 -1.919082
C 1.053152 -0.569553 -1.429870
C -1.258793 0.829087 0.182498
C -1.951577 -0.034308 1.050042
C -1.866681 1.428303 -0.935677
C -3.304015 -0.334343 0.802157
C -3.946476 0.247529 -0.344310
C -4.100117 -1.248556 1.725033
C -3.213838 1.129556 -1.196570
C -5.259321 -1.936278 0.967679
C -6.121535 -0.878426 0.247424
H 3.514193 -2.055959 0.219945
H 3.212921 0.856844 -0.739931
H 5.526853 -0.220876 -1.242369
H 5.792877 -1.932420 -0.832473
H 3.759400 -2.647412 -2.188931
H 3.557506 -0.941324 -2.658803
H 3.226582 -0.354367 2.105127
H 2.988839 1.357417 1.726080
H 6.880972 -0.374793 0.852339
H 5.644916 -1.409633 1.611335
H 5.354373 0.942645 2.409333
H 5.272211 1.532034 0.734072
H 1.359391 -2.099066 -2.936367
H 1.431367 -2.701022 -1.254252
H 1.304816 0.267467 -2.121073
H -0.041735 -0.699796 -1.414129
H -1.442449 -0.450297 1.926702
H -1.297269 2.121619 -1.563466
H -3.432367 -2.004597 2.176483
H -4.518045 -0.658299 2.566529
H -3.713450 1.584502 -2.060512
H -4.855258 -2.647010 0.222784
H -5.894878 -2.506588 1.669020
H -6.894279 -1.368690 -0.373248
H -6.647596 -0.255668 1.003527
H -5.712137 0.416288 -1.422987


