%chk=000198846.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198846

0 1
S 3.857914 -4.444519 0.319544
O 2.373574 7.262110 -1.799932
O 3.670460 -5.737862 -0.314150
O 4.936838 -3.577541 -0.128808
N 0.153835 1.615028 0.766998
N 1.263872 4.150237 -0.104155
N -2.943256 0.128600 0.326194
N -2.376690 -1.881401 -0.632736
N -4.687144 -1.022299 -0.993864
C -0.551184 2.464788 -0.246667
C 0.948201 2.483271 1.700595
C 0.488849 3.276553 -1.045072
C 1.983255 3.291882 0.893140
C -0.799112 0.762995 1.558997
C 2.217267 5.033158 -0.845432
C -1.601351 -0.127355 0.679071
C -1.284023 -1.357421 0.073376
C 1.460294 6.319722 -1.223982
C -3.393231 -1.002526 -0.501082
C -0.021366 -2.105351 0.118994
C -3.805538 1.183576 0.616466
C -0.049644 -3.511447 0.170853
C 1.210039 -1.431332 0.097620
C -5.076409 1.123547 0.107317
C 2.369788 -3.553722 0.241396
C 1.145979 -4.229098 0.224213
C 2.400065 -2.159634 0.156989
C -5.479265 -0.004183 -0.697474
C 4.084928 -4.725814 2.041499
H -1.293787 3.154428 0.208254
H -1.094185 1.793346 -0.947901
H 1.481816 1.827565 2.421505
H 0.311526 3.180200 2.288965
H -0.037856 3.925524 -1.776478
H 1.136929 2.582869 -1.625775
H 2.716003 2.600586 0.421883
H 2.546925 3.954660 1.585053
H -1.464043 1.355568 2.228892
H -0.171644 0.120811 2.230424
H 3.076064 5.311347 -0.193950
H 2.661703 4.559855 -1.745057
H 1.082304 6.850963 -0.328793
H 0.627464 6.133919 -1.921500
H -3.434959 2.008241 1.231927
H -1.008480 -4.035211 0.143281
H 1.239106 -0.339260 0.012249
H -5.795473 1.918076 0.299407
H 2.708329 6.942323 -2.659052
H 1.120141 -5.323963 0.236173
H 3.360822 -1.632872 0.121519
H -6.503508 -0.038719 -1.099010
H 5.047331 -4.331857 2.400493
H 4.097568 -5.798036 2.287500
H 3.318156 -4.276931 2.680185


%chk=000198846-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198846

0 1
S 4.028134 -4.314886 0.228362
O 2.628685 7.118484 -2.096421
O 3.885825 -5.603388 -0.771231
O 5.205964 -3.189964 0.050366
N 0.047921 1.731789 0.844600
N 1.324183 4.145082 -0.117945
N -3.055958 0.109747 0.393687
N -2.447131 -1.936534 -0.466266
N -4.762425 -1.219232 -0.791307
C -0.531739 2.506544 -0.281100
C 0.803892 2.621879 1.764135
C 0.582301 3.247273 -1.037362
C 1.910596 3.363893 0.997461
C -0.948614 0.907742 1.581303
C 2.305065 5.015413 -0.805910
C -1.706105 -0.063093 0.717562
C -1.358472 -1.327600 0.164980
C 1.632328 6.232141 -1.476192
C -3.484588 -1.083848 -0.340557
C -0.055229 -2.016417 0.195383
C -3.957776 1.133151 0.630131
C -0.019109 -3.412856 -0.083710
C 1.158791 -1.318972 0.457491
C -5.259365 0.984012 0.165410
C 2.368237 -3.397422 0.241605
C 1.200984 -4.116954 -0.067823
C 2.385938 -2.015379 0.485591
C -5.623518 -0.211752 -0.541930
C 4.203622 -5.018286 2.003403
H -1.279864 3.256737 0.081647
H -1.040320 1.807430 -0.969231
H 1.256502 2.004547 2.563575
H 0.130486 3.374713 2.244767
H 0.130247 3.845349 -1.848215
H 1.262389 2.490460 -1.504534
H 2.659057 2.614728 0.634143
H 2.427435 4.057298 1.685792
H -1.675960 1.553308 2.137820
H -0.390841 0.337382 2.349593
H 3.022803 5.401150 -0.058935
H 2.903975 4.451514 -1.568995
H 1.135427 6.850093 -0.712781
H 0.871361 5.913161 -2.219489
H -3.604756 2.014768 1.169897
H -0.958545 -3.918094 -0.326481
H 1.139975 -0.226857 0.574589
H -5.992487 1.774910 0.336417
H 3.092586 6.628194 -2.821824
H 1.253614 -5.181670 -0.318818
H 3.339079 -1.499806 0.646129
H -6.644733 -0.344398 -0.913329
H 5.164889 -5.550939 1.998573
H 3.354245 -5.695845 2.165539
H 4.206196 -4.161306 2.690534


