%chk=000216845.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216845

0 1
S -4.931023 0.975373 -0.535446
S 4.575492 -1.673965 -0.509002
P 0.413176 -0.791326 -0.314127
O -1.105707 -1.285042 -0.759437
O 1.313949 -0.857570 -1.502918
O -3.572109 1.959556 -0.656872
O 4.517711 -0.041547 -0.062330
O -5.967432 1.744396 0.093147
O -4.480555 -0.248411 0.092752
O 3.607549 -2.370875 0.321568
O 5.961371 -2.036477 -0.390646
N 0.132611 0.819717 0.329207
N 0.935706 -1.712165 1.059677
C -0.438120 1.741609 -0.699351
C 1.282027 1.375115 1.096885
C -0.144048 -2.160157 1.971775
C -1.408460 -2.662394 1.252682
C -1.999870 -1.590906 0.339885
C -1.424186 2.714392 -0.026163
C 2.649859 1.383966 0.386216
C -2.681018 2.014917 0.484466
C 3.645926 0.390857 0.995443
C -5.236239 0.754758 -2.225621
C 4.092791 -1.593309 -2.153364
H -0.993985 1.166807 -1.481620
H 0.346150 2.322999 -1.235076
H 1.342833 0.800580 2.054793
H 1.022980 2.416293 1.398110
H 1.681512 -2.433036 0.889249
H 0.253274 -2.960619 2.636268
H -0.407305 -1.306655 2.644256
H -2.168493 -2.971936 1.997117
H -1.182731 -3.576215 0.665670
H -2.259723 -0.646093 0.872555
H -2.911647 -1.939212 -0.191035
H -1.719144 3.496625 -0.757854
H -0.931933 3.242263 0.814184
H 3.082148 2.401973 0.409575
H 2.554731 1.166605 -0.702479
H -2.475862 0.976103 0.836431
H -3.188660 2.597785 1.274047
H 4.324884 0.880675 1.719685
H 3.156518 -0.474041 1.486945
H -5.108750 -0.288189 -2.560531
H -4.553841 1.344461 -2.864815
H -6.252033 1.052726 -2.531891
H 4.351018 -2.478505 -2.749075
H 4.502363 -0.728460 -2.697390
H 2.979394 -1.476448 -2.271746


%chk=000216845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216845

0 1
S -4.769313 1.041160 -1.037437
S 4.399788 -1.739574 -0.894657
P 0.074726 -0.669534 -0.303649
O -1.630017 -1.054025 -0.400413
O 0.755385 -0.719431 -1.752715
O -3.357324 2.275966 -0.859801
O 4.463613 0.075845 -0.352282
O -6.054790 1.825426 -1.615264
O -4.889707 0.179432 0.336529
O 3.373300 -2.526290 0.103956
O 5.914077 -2.266945 -1.030566
N 0.055358 0.921913 0.470571
N 0.710177 -1.787369 0.822032
C -0.450737 2.029355 -0.398771
C 1.243892 1.282267 1.298921
C -0.090571 -2.358588 1.929805
C -1.516255 -2.733810 1.466370
C -2.259684 -1.522726 0.881777
C -1.409818 2.989042 0.337754
C 2.576565 1.439458 0.486602
C -2.825501 2.417389 0.516260
C 3.644777 0.381378 0.845918
C -3.959731 -0.009695 -2.395345
C 3.597746 -1.513881 -2.599337
H -0.984823 1.597107 -1.263173
H 0.404546 2.600980 -0.813634
H 1.357500 0.512284 2.083163
H 0.987263 2.225635 1.813090
H 1.629160 -2.200116 0.588781
H 0.444324 -3.252715 2.294667
H -0.157441 -1.644425 2.778082
H -2.095717 -3.114215 2.330059
H -1.465671 -3.536720 0.708223
H -2.269836 -0.677640 1.598374
H -3.298103 -1.751271 0.601189
H -1.479441 3.933650 -0.234507
H -1.015174 3.245519 1.340982
H 3.001810 2.451117 0.614346
H 2.345531 1.326099 -0.589571
H -2.798107 1.433537 1.020401
H -3.466007 3.108650 1.094622
H 4.349149 0.731399 1.622437
H 3.169514 -0.553056 1.210040
H -3.071504 -0.460729 -1.923711
H -3.710454 0.692006 -3.202508
H -4.717926 -0.745974 -2.698372
H 3.653409 -2.500474 -3.081782
H 4.214167 -0.759203 -3.106750
H 2.560976 -1.181209 -2.396907


