%chk=000276214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276214

0 1
S -0.126012 0.762783 1.605985
O -2.261027 -0.623265 3.128963
O -1.114713 -2.154887 1.957556
O -4.288039 -1.212391 -1.109652
N -3.830454 -0.247376 0.903793
C 1.182245 0.445000 0.350371
C 1.423219 1.772073 -0.346663
C 0.682027 -0.444675 -0.772053
C 1.088576 1.666717 -1.731195
C 0.634993 0.293221 -1.995836
C 2.321551 -0.141483 1.137676
C 1.863749 2.973677 0.182340
C 0.306231 -1.776229 -0.741951
C -1.667600 0.968275 0.671990
C 1.209425 2.761475 -2.573784
C 0.207118 -0.306274 -3.170089
C 3.623491 0.364788 1.000761
C 2.092167 -1.226269 2.001230
C -2.374024 -0.388934 0.745995
C 1.983734 4.081775 -0.677614
C -0.130578 -2.379562 -1.936947
C 1.664509 3.977002 -2.030985
C -0.179675 -1.658777 -3.128881
C 4.675584 -0.189887 1.734615
C 3.147696 -1.774734 2.733885
C 4.440180 -1.256633 2.606639
C -1.805137 -1.164734 1.948099
C -4.714749 -0.705342 -0.089543
C -6.167687 -0.505806 0.227175
H 2.108749 3.066528 1.239922
H 0.330789 -2.353840 0.187511
H -1.495305 1.286038 -0.374545
H -2.246822 1.780309 1.155224
H 0.960326 2.686960 -3.629415
H 0.168620 0.249695 -4.103330
H 3.826436 1.186145 0.313186
H 1.091263 -1.661188 2.102673
H -2.159205 -0.996552 -0.191126
H 2.330477 5.032060 -0.274025
H -0.437066 -3.425518 -1.920733
H 1.766110 4.845287 -2.680765
H -0.524860 -2.142766 -4.041976
H 5.681846 0.210140 1.622418
H 2.960125 -2.612755 3.403724
H 5.259727 -1.685469 3.179691
H -4.152690 0.172436 1.772989
H -1.891379 -1.083910 3.928944
H -6.786651 -0.889088 -0.602294
H -6.477584 -1.045726 1.132303
H -6.428807 0.552586 0.358743


%chk=000276214-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276214

0 1
S 0.115411 0.277778 2.192670
O -3.457735 -1.099187 3.060843
O -1.994836 -2.638383 2.110833
O -3.238111 0.346637 -1.645174
N -3.777090 0.015281 0.593661
C 1.273920 0.204322 0.602684
C 1.143233 1.528084 -0.148200
C 0.740866 -0.808820 -0.421322
C 0.553756 1.315066 -1.428616
C 0.316522 -0.131596 -1.602653
C 2.671384 -0.144599 1.133808
C 1.480519 2.823130 0.282188
C 0.644273 -2.206848 -0.322081
C -1.560009 0.726612 1.454667
C 0.300679 2.404545 -2.289860
C -0.225910 -0.851161 -2.686574
C 3.823805 0.457863 0.565347
C 2.849766 -1.135903 2.135466
C -2.435718 -0.469441 0.969883
C 1.235207 3.916226 -0.585364
C 0.111033 -2.931324 -1.416711
C 0.648757 3.706682 -1.860044
C -0.322313 -2.258248 -2.586857
C 5.117939 0.083342 0.989903
C 4.143087 -1.504022 2.564780
C 5.284939 -0.897615 1.993172
C -2.567251 -1.536428 2.054041
C -4.086745 0.398547 -0.704740
C -5.519110 0.880566 -0.918412
H 1.914019 2.982082 1.275301
H 0.952468 -2.730433 0.587694
H -1.400627 1.417494 0.610482
H -2.079586 1.263286 2.266687
H -0.164781 2.248793 -3.268910
H -0.584597 -0.333498 -3.581850
H 3.708725 1.216687 -0.215036
H 1.972902 -1.609175 2.591193
H -1.972799 -0.930719 0.083988
H 1.494368 4.932454 -0.267952
H 0.021347 -4.021176 -1.351779
H 0.458966 4.564669 -2.514959
H -0.747370 -2.834035 -3.416476
H 5.994769 0.559306 0.536329
H 4.258025 -2.265025 3.344968
H 6.289070 -1.184420 2.325145
H -4.467053 0.103152 1.342763
H -3.516773 -1.788154 3.775922
H -5.498246 1.913693 -1.306071
H -5.995887 0.251606 -1.689761
H -6.136308 0.853209 -0.004017


