%chk=000187063.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187063

0 1
S 7.252000 0.231255 -1.171636
O -6.396598 -0.700976 1.024469
O -6.936607 0.435537 -1.627582
O 9.024880 -0.299947 0.693244
N -0.744110 -0.480944 -0.360759
N -1.208359 0.934363 1.484588
N 5.508391 -0.391921 1.260578
N 6.862065 -0.328039 1.454528
C -0.601677 -2.871335 0.373837
C 0.929102 -2.858712 0.303817
C -1.177085 -1.883707 -0.649193
C 1.493368 -1.472535 0.151930
C 0.674189 -0.349973 -0.105066
C 2.879438 -1.294819 0.261126
C 1.252747 0.931254 -0.222286
C -1.657850 0.292542 0.454722
C 3.451075 -0.024058 0.126199
C 2.628642 1.091561 -0.105838
C 4.922907 0.146035 0.226152
C -3.056297 0.299194 -0.084750
C 5.590162 0.933335 -0.873723
C -4.091756 -0.254602 0.679492
C -3.319624 0.873107 -1.336203
C 5.716196 2.401467 -0.517347
C -2.019999 1.872305 2.278659
C -5.401125 -0.207034 0.190698
C -4.628160 0.936515 -1.819656
C -5.674603 0.407640 -1.053624
C 7.852092 -0.161315 0.470225
C -2.444617 3.117938 1.499851
C -7.118196 -1.837462 0.471376
C -7.935127 1.151316 -0.847200
H -0.988148 -3.889665 0.187585
H -0.936067 -2.596821 1.394704
H 1.273805 -3.483397 -0.547819
H 1.346816 -3.334757 1.216075
H -0.811261 -2.125068 -1.674345
H -2.284415 -1.948755 -0.686276
H 3.520582 -2.153830 0.465956
H 0.612695 1.798210 -0.387494
H 3.068624 2.087329 -0.185333
H 5.038369 0.807921 -1.842399
H -3.898735 -0.720919 1.645951
H -2.496433 1.273058 -1.931327
H 4.722926 2.863500 -0.391370
H 6.261327 2.562136 0.423962
H 6.244823 2.969153 -1.295892
H -2.912271 1.370001 2.716098
H -1.365299 2.165874 3.135623
H -4.852266 1.389477 -2.785389
H 7.138737 -0.688090 2.383409
H -2.933743 3.843818 2.158888
H -1.579821 3.616918 1.044984
H -3.147367 2.876841 0.693381
H -7.524828 -1.596392 -0.517290
H -7.912689 -1.987560 1.210450
H -6.448814 -2.700555 0.426876
H -7.972645 0.776429 0.182021
H -8.857600 0.928161 -1.394092
H -7.706067 2.220199 -0.872665


%chk=000187063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187063

0 1
S 6.894008 1.492682 -1.651646
O -6.718767 -0.150874 1.062007
O -7.007779 -0.163274 -1.862158
O 9.056319 -0.041449 -0.959720
N -0.817345 -0.713305 0.108328
N -1.441995 1.157123 1.415769
N 5.661299 -0.793320 0.169373
N 7.054914 -0.651236 0.062344
C -0.434429 -3.095094 0.706005
C 1.051345 -3.002372 0.314088
C -1.241545 -2.114284 -0.165771
C 1.514813 -1.555159 0.167848
C 0.586814 -0.461937 0.115504
C 2.894137 -1.291045 0.080657
C 1.104571 0.858195 -0.013165
C -1.793736 0.226039 0.565409
C 3.419019 0.021018 -0.057600
C 2.483063 1.094309 -0.102803
C 4.880873 0.243460 -0.124256
C -3.162137 0.061095 -0.046203
C 5.433584 1.630699 -0.422578
C -4.321781 0.001847 0.766155
C -3.312135 0.012183 -1.458013
C 5.857938 2.372917 0.861631
C -2.326976 2.262893 1.826192
C -5.605877 -0.096482 0.191960
C -4.594333 -0.049323 -2.039262
C -5.749855 -0.084780 -1.227049
C 7.831049 0.159150 -0.774420
C -1.558417 3.599849 1.760155
C -7.527736 -1.389875 0.962169
C -7.927745 0.965119 -1.575982
H -0.811981 -4.123927 0.559227
H -0.576173 -2.831513 1.770991
H 1.208055 -3.534145 -0.646888
H 1.685067 -3.518356 1.059046
H -1.082691 -2.352286 -1.237301
H -2.318216 -2.199700 0.041331
H 3.602952 -2.124994 0.124646
H 0.413857 1.701278 -0.024968
H 2.820119 2.132349 -0.195543
H 4.704729 2.229545 -0.989348
H -4.245349 -0.001119 1.858502
H -2.421504 0.044043 -2.094979
H 4.985510 2.501373 1.529620
H 6.632037 1.811585 1.412648
H 6.263728 3.368592 0.613527
H -3.263674 2.336797 1.232523
H -2.624342 2.079645 2.879442
H -4.728014 -0.057599 -3.125607
H 7.555716 -1.452122 0.456583
H -2.174284 4.423018 2.167289
H -0.625008 3.532075 2.345687
H -1.293166 3.850495 0.716850
H -7.896693 -1.542794 -0.067820
H -8.368157 -1.245384 1.657560
H -6.923816 -2.261469 1.277507
H -8.103551 1.070118 -0.490625
H -8.863334 0.716430 -2.098918
H -7.507277 1.904497 -1.981052


