%chk=000235602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235602

0 1
S -4.022475 -2.684068 0.155771
O -4.872698 2.269739 0.124985
O -4.184464 -2.961613 -1.502798
O 5.764451 -1.271267 -0.574663
O -2.999024 -3.619154 0.553356
O -5.341055 -2.777012 0.712467
N 1.627166 2.437611 -0.088971
C -1.583886 0.527433 0.060658
C -2.509506 1.606952 0.070583
C 0.271175 2.105225 -0.014502
C -0.191701 0.793447 0.023733
C -2.082249 -0.821009 0.091624
C -3.432308 -1.058827 0.127496
C -3.908748 1.292704 0.110826
C -2.011757 2.945040 0.045458
C -0.669327 3.201482 0.006303
C -4.378888 -0.007562 0.141291
C 2.686413 1.467755 -0.162233
C 3.700409 1.478917 0.806121
C 2.726845 0.549723 -1.235739
C 4.793485 -0.330512 -0.349968
C 4.767512 0.580335 0.713755
C 3.773687 -0.352745 -1.330398
C 6.864658 -1.379700 0.388353
C 7.695530 -2.516062 -0.172228
H 0.503514 -0.044308 0.041491
H -1.356775 -1.641324 0.091748
H -2.732491 3.766791 0.058228
H -0.298538 4.223973 -0.017007
H -5.453071 -0.205536 0.181551
H 1.907677 3.399909 0.075017
H 3.663717 2.183114 1.636818
H 1.934855 0.557199 -1.987132
H 5.549467 0.599759 1.465869
H 3.833412 -1.076727 -2.142119
H -4.483448 3.181953 0.098883
H -4.130699 -3.884154 -1.787383
H 7.406623 -0.418948 0.405189
H 6.438324 -1.608573 1.379994
H 8.572013 -2.718196 0.453885
H 7.107642 -3.442588 -0.244693
H 8.046933 -2.290878 -1.189318


%chk=000235602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235602

0 1
S -4.418223 -2.679382 0.070679
O -4.959352 2.468942 -0.082723
O -4.573757 -2.862198 -1.775019
O 5.996071 -1.341269 -0.564094
O -3.322832 -3.743860 0.603572
O -5.912053 -2.663678 0.694142
N 1.624694 2.188333 0.200040
C -1.736993 0.467182 0.081017
C -2.617673 1.619343 0.023954
C 0.247712 1.936427 0.134170
C -0.321865 0.648537 0.138265
C -2.304511 -0.850828 0.086444
C -3.686080 -0.957536 0.038158
C -4.044028 1.411717 -0.027308
C -2.013778 2.919193 0.040036
C -0.633713 3.076832 0.086542
C -4.592708 0.124693 -0.021760
C 2.704631 1.271074 0.039707
C 3.888225 1.465744 0.793629
C 2.666138 0.209801 -0.908056
C 4.954443 -0.436644 -0.312919
C 5.013268 0.630926 0.617185
C 3.773598 -0.637665 -1.072541
C 7.248011 -1.179519 0.202531
C 8.192163 -2.287896 -0.254489
H 0.313252 -0.237763 0.217460
H -1.669473 -1.740166 0.141645
H -2.627140 3.829793 0.009823
H -0.199802 4.084401 0.082455
H -5.674706 -0.022846 -0.045304
H 1.890299 3.145090 0.438534
H 3.930557 2.273312 1.534639
H 1.783163 0.067153 -1.537702
H 5.910691 0.814318 1.214541
H 3.752065 -1.455393 -1.799232
H -4.509037 3.348489 -0.103192
H -5.081547 -3.708734 -1.944678
H 7.676325 -0.175771 0.000297
H 7.028588 -1.259154 1.287482
H 9.152810 -2.215848 0.287147
H 7.752053 -3.279928 -0.056508
H 8.392915 -2.206924 -1.336269


