%chk=000191263.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191263

0 1
S -0.284883 0.744730 -1.904276
S -4.093639 -1.071636 0.194405
O 1.859658 0.959166 2.301589
O -2.357797 1.507608 3.244522
O 4.364329 2.162153 -1.655637
O -0.835238 -0.241017 3.075339
O -9.646241 -0.702398 -1.877550
N 0.044247 1.512147 0.743748
N 2.755144 0.674877 -0.819511
N -6.379385 0.250025 -0.576486
N 3.075363 -1.834535 0.194907
N -7.669868 0.250061 -1.066578
C 0.463091 1.900914 -0.630541
C 1.962604 1.702331 -0.193533
C 1.385156 1.316081 1.212119
C -1.262472 1.165029 1.119817
C -2.272886 1.088076 0.181188
C -2.030334 1.240825 -1.313847
C -3.694256 0.783640 0.556836
C 3.945411 0.981638 -1.467148
C -1.430783 0.720272 2.549801
C 4.689943 -0.272117 -1.962936
C 5.803238 -0.783952 -1.046531
C 5.581246 -1.323932 0.259454
C 7.128766 -0.753696 -1.553725
C -5.805109 -0.947546 -0.435301
C 4.240127 -1.328662 0.995469
C 6.695825 -1.826786 0.982942
C 8.227747 -1.244337 -0.816777
C 8.008341 -1.792901 0.464880
C -6.478681 -2.185685 -0.768427
C -7.767435 -2.145251 -1.257197
C -8.468170 -0.867106 -1.441884
H 0.177154 2.933878 -0.885949
H 2.536545 2.647228 -0.213684
H -2.204202 2.279533 -1.649783
H -2.721291 0.579501 -1.864666
H 2.632505 -0.346939 -0.563107
H -3.914774 0.962168 1.616955
H -4.419643 1.336747 -0.064383
H 5.134071 -0.000846 -2.935154
H 3.949154 -1.071260 -2.144770
H -2.436561 1.169282 4.179510
H 7.297106 -0.328688 -2.550015
H 4.368509 -1.916394 1.927327
H 3.981069 -0.300381 1.315107
H 6.527576 -2.248018 1.981864
H 9.236904 -1.200652 -1.240648
H 8.842803 -2.187476 1.054678
H -5.954556 -3.136707 -0.627630
H 3.300887 -2.699561 -0.314198
H 2.256136 -1.991158 0.799656
H -8.318224 -3.051317 -1.523226
H -8.090526 1.179248 -1.160019


%chk=000191263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191263

0 1
S -0.619545 0.649097 -1.604411
S -4.250598 -1.028468 0.928397
O 1.920589 1.130878 2.374623
O -2.219628 1.655935 3.668596
O 3.979696 1.984781 -1.960027
O -0.654094 -0.047091 3.442584
O -8.448414 -0.743832 -3.262506
N -0.034910 1.561218 0.952343
N 2.510851 0.591202 -0.779293
N -5.809868 0.241733 -0.952677
N 2.970541 -1.822170 0.471724
N -6.800642 0.223646 -1.914058
C 0.255538 1.863163 -0.476877
C 1.788712 1.678821 -0.168277
C 1.343624 1.401962 1.308748
C -1.301342 1.246438 1.470568
C -2.396917 1.126364 0.636265
C -2.293631 1.211672 -0.879689
C -3.774271 0.830176 1.157358
C 3.604995 0.829794 -1.597346
C -1.327819 0.868012 2.927594
C 4.307380 -0.467272 -2.045659
C 5.520753 -0.887345 -1.210582
C 5.465802 -1.310277 0.158686
C 6.778565 -0.887999 -1.869356
C -5.535120 -0.927051 -0.367843
C 4.232657 -1.266724 1.065153
C 6.670101 -1.732497 0.783820
C 7.966696 -1.296032 -1.227817
C 7.911130 -1.729165 0.113302
C -6.219105 -2.156405 -0.713241
C -7.200917 -2.136389 -1.681074
C -7.566023 -0.888379 -2.365552
H -0.045369 2.883969 -0.763079
H 2.362664 2.612178 -0.316547
H -2.471690 2.241475 -1.239735
H -3.052721 0.558418 -1.340702
H 2.434845 -0.403875 -0.402387
H -3.885954 1.030794 2.230287
H -4.548395 1.369788 0.585459
H 4.641957 -0.291600 -3.081597
H 3.560452 -1.280390 -2.068198
H -2.198864 1.360284 4.620921
H 6.819581 -0.552931 -2.912283
H 4.489462 -1.791536 2.007615
H 4.010661 -0.218974 1.347429
H 6.631034 -2.064739 1.828706
H 8.918131 -1.278502 -1.770367
H 8.817413 -2.059239 0.632537
H -5.948261 -3.083755 -0.198077
H 3.123862 -2.727911 0.008666
H 2.242196 -1.920955 1.194355
H -7.746564 -3.036736 -1.975490
H -6.995525 1.132643 -2.343993


