%chk=000187628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187628

0 1
S 1.096644 1.364854 0.206388
O 2.825017 -1.182743 -2.440421
O 0.297855 1.882089 1.308937
O 1.099044 2.092367 -1.048609
N 0.579700 -0.235496 -0.165168
C 1.551410 -1.667767 -1.898696
C 0.514221 -0.596465 -1.601162
C 1.946806 -1.954279 -3.320549
C -0.313498 -1.036427 0.723857
C -1.787860 -0.736044 0.486522
C 0.066505 -0.858193 2.195092
C 2.716777 1.134622 0.760223
C -2.593372 -1.715163 -0.113419
C -2.359995 0.489111 0.853698
C -4.521361 -0.247362 0.025155
C -3.949462 -1.474480 -0.343338
C -3.714929 0.732509 0.624083
C 3.705180 0.686345 -0.120329
C 3.036303 1.415078 2.093927
C -5.981532 0.019084 -0.227407
C 5.017480 0.514174 0.335205
C 4.345563 1.244551 2.548812
C 5.336026 0.793375 1.667029
C -6.189100 0.683387 -1.588306
H 1.684465 -2.433671 -1.127413
H -0.497994 -0.968019 -1.887792
H 0.697136 0.304808 -2.246645
H 1.530270 -1.381138 -4.145936
H 2.342525 -2.926479 -3.604137
H -0.120780 -2.116483 0.455206
H -0.142447 0.160321 2.566427
H 1.126577 -1.068925 2.372545
H -0.519340 -1.540285 2.823712
H -2.167032 -2.674822 -0.400122
H -1.740118 1.266239 1.322160
H -4.562840 -2.241128 -0.811257
H -4.144064 1.691786 0.908997
H 3.463539 0.463818 -1.169740
H 2.260039 1.773816 2.779972
H -6.399145 0.663752 0.573468
H -6.563162 -0.923838 -0.175467
H 5.786001 0.162724 -0.352117
H 4.596326 1.465014 3.584730
H 6.358710 0.661084 2.021650
H -5.822142 0.048852 -2.403771
H -7.249097 0.886892 -1.773894
H -5.650151 1.636952 -1.653404


%chk=000187628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187628

0 1
S 1.236714 1.439883 0.140184
O 2.685520 -1.409071 -2.456081
O 0.347861 2.222879 1.274362
O 1.441053 2.146417 -1.319343
N 0.695669 -0.388078 -0.243019
C 1.209300 -1.676915 -2.263470
C 0.392024 -0.531690 -1.689492
C 1.777944 -1.594239 -3.648874
C -0.270535 -1.044164 0.709474
C -1.760123 -0.749608 0.478177
C 0.164298 -0.859887 2.180153
C 2.936169 1.120503 0.897986
C -2.620809 -1.798075 0.066344
C -2.318123 0.539671 0.683146
C -4.564223 -0.288101 0.072090
C -4.002061 -1.573263 -0.129818
C -3.696778 0.759407 0.480389
C 3.872647 0.389709 0.147113
C 3.190440 1.679487 2.159526
C -6.041803 -0.027227 -0.184986
C 5.153960 0.211070 0.719204
C 4.480167 1.487919 2.708977
C 5.455507 0.757644 1.990307
C -6.313790 0.438640 -1.641114
H 1.019678 -2.672810 -1.840012
H -0.689273 -0.704453 -1.869664
H 0.675696 0.409828 -2.201648
H 1.610259 -0.683737 -4.238131
H 1.952283 -2.512704 -4.222170
H -0.115025 -2.119373 0.466588
H -0.004487 0.171764 2.529170
H 1.233522 -1.110080 2.298812
H -0.428111 -1.537482 2.818787
H -2.210337 -2.805116 -0.089516
H -1.671811 1.367218 1.000342
H -4.649792 -2.402752 -0.440623
H -4.109609 1.762627 0.646369
H 3.616030 -0.036661 -0.829105
H 2.409610 2.241474 2.682056
H -6.413010 0.746408 0.514249
H -6.626159 -0.945979 0.014528
H 5.911503 -0.356814 0.169151
H 4.718075 1.910196 3.690853
H 6.452482 0.613477 2.421041
H -5.982973 -0.325765 -2.367601
H -7.391950 0.623646 -1.801372
H -5.766931 1.372572 -1.864645


