%chk=000187973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187973

0 1
S 1.037991 -1.621680 0.907297
P 1.837508 -0.473659 -0.647040
O 3.012176 -1.411368 -1.292925
O 2.661345 0.669285 0.203114
O 0.861677 -0.017497 -1.658724
N -3.714053 0.446436 0.352022
C -2.801673 -0.623988 -0.193335
C -1.606101 -0.820243 0.789726
C -2.275968 -0.168015 -1.572803
C -2.100974 -1.153244 2.208346
C -4.238045 0.084048 1.712051
C -4.875693 0.687097 -0.572012
C -3.066718 -0.068824 2.692557
C -3.423211 0.095300 -2.550220
C -4.377241 1.136046 -1.954133
C -0.669979 -1.915185 0.278896
C 4.108012 -1.895658 -0.469008
C 2.313450 2.058904 -0.077273
C 5.319460 -0.984823 -0.661211
C 1.346404 2.557513 0.993440
C 5.611785 -0.112050 0.564619
C -0.119233 2.531382 0.546745
C 6.833379 0.776359 0.344413
C -1.029632 3.261615 1.529867
H -3.342201 -1.597624 -0.307494
H -1.066511 0.174002 0.832576
H -1.659515 0.749521 -1.458659
H -1.573882 -0.921362 -1.985556
H -2.598383 -2.140763 2.225385
H -1.239890 -1.230173 2.899795
H -4.899217 0.911066 2.051026
H -4.853034 -0.841564 1.707278
H -5.528713 -0.205917 -0.679738
H -5.496909 1.493749 -0.125473
H -2.531068 0.898667 2.782345
H -3.448069 -0.310144 3.700865
H -3.019658 0.453979 -3.515939
H -3.965371 -0.842052 -2.773593
H -5.237720 1.308229 -2.624559
H -3.852243 2.107943 -1.858227
H -0.676916 -1.972057 -0.833167
H -0.954598 -2.919559 0.644822
H 3.816585 -2.019837 0.588103
H 4.274162 -2.899046 -0.914907
H 1.925377 2.185038 -1.106702
H 3.305214 2.548514 0.002740
H 5.152647 -0.344459 -1.554406
H 6.208714 -1.596668 -0.909500
H 1.628700 3.588339 1.287276
H 1.473396 1.946638 1.912993
H 4.724929 0.519044 0.795914
H 5.768059 -0.749279 1.456377
H -0.224802 2.972304 -0.463701
H -0.474728 1.475159 0.444403
H 7.029742 1.401111 1.223225
H 6.695037 1.447988 -0.510608
H 7.736506 0.185631 0.154058
H -0.843153 4.339976 1.538282
H -2.084573 3.106604 1.259242
H -0.902182 2.892652 2.553217


%chk=000187973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187973

0 1
S 1.185321 -1.802843 0.963899
P 1.880120 -0.084413 -0.351288
O 3.609792 -0.122585 -0.242779
O 1.535713 1.298684 0.617768
O 1.282310 -0.081585 -1.833016
N -3.759108 0.215850 0.430034
C -2.841128 -0.817660 -0.148742
C -1.518810 -0.861079 0.685204
C -2.563016 -0.494505 -1.639939
C -1.808944 -1.085033 2.187691
C -4.064446 -0.021294 1.864862
C -5.023628 0.351799 -0.341931
C -2.787281 -0.021584 2.718127
C -3.855551 -0.321773 -2.464187
C -4.763142 0.736819 -1.807208
C -0.542651 -1.924302 0.148791
C 4.335958 -1.096021 -1.117185
C 1.789319 2.659293 0.031631
C 5.823151 -0.941094 -0.797538
C 0.868601 3.634824 0.766690
C 6.191506 -1.338030 0.649589
C -0.629769 3.442952 0.444479
C 7.697367 -1.166879 0.940403
C -1.533621 4.420917 1.223787
H -3.328505 -1.832733 -0.087607
H -1.047468 0.136539 0.569623
H -1.963388 0.435562 -1.688484
H -1.949078 -1.296436 -2.088044
H -2.251609 -2.095355 2.325800
H -0.858772 -1.063545 2.753116
H -4.752271 0.777871 2.200599
H -4.599171 -0.999463 2.006903
H -5.613759 -0.604189 -0.317285
H -5.638933 1.126022 0.154862
H -2.316955 0.979444 2.666786
H -3.044653 -0.219873 3.776276
H -3.605186 -0.038288 -3.503998
H -4.399268 -1.288570 -2.515254
H -5.726720 0.824112 -2.345388
H -4.266258 1.725793 -1.837685
H -0.357657 -1.834134 -0.932460
H -0.871074 -2.953207 0.383291
H 3.976779 -2.119138 -0.885551
H 4.111838 -0.860097 -2.174075
H 1.572727 2.635991 -1.054771
H 2.856895 2.892852 0.195487
H 6.121843 0.107922 -0.989018
H 6.388048 -1.571838 -1.515451
H 1.184447 4.663966 0.494267
H 1.038778 3.528506 1.855907
H 5.596886 -0.722472 1.349480
H 5.894711 -2.392301 0.824643
H -0.789885 3.573500 -0.645249
H -0.922393 2.403326 0.680850
H 7.939850 -1.449592 1.980977
H 8.011738 -0.115973 0.794829
H 8.310472 -1.796654 0.267653
H -1.298316 5.473531 0.975272
H -2.599552 4.245525 0.991110
H -1.401802 4.296334 2.315548


