%chk=000231350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231350

0 1
S -4.157455 3.218893 1.346222
S -5.405202 -2.024259 -0.121792
P 4.759358 -1.788745 -0.182902
O 6.069240 -2.122088 0.793199
O 4.807212 -0.147285 -0.331087
O -3.195872 3.213722 -0.030863
O -4.284668 -1.024825 -0.918049
O 4.760025 -2.449288 -1.504007
O -4.935457 1.998698 1.317013
O -3.294736 3.469244 2.468237
O -6.283647 -2.534871 -1.139115
O -4.610311 -2.941752 0.657032
N -1.422820 0.206596 -0.859674
C -0.274320 -0.469265 -0.344617
C -2.278223 0.944975 0.113038
C -2.219014 -0.472000 -1.916200
C 2.149460 -1.631060 0.545322
C 3.415405 -2.248332 1.029309
C 0.377308 0.017876 0.809893
C 0.306345 -1.553812 -1.041489
C -1.976413 2.446808 -0.017137
C -3.085876 -1.642813 -1.424344
C 1.569342 -0.560364 1.242387
C 1.498198 -2.120800 -0.601278
C 7.325971 -2.363633 0.109912
C 4.980852 0.629803 0.886493
C 8.003681 -1.053410 -0.252247
C 5.602012 1.929305 0.404115
C -5.140938 4.588272 0.954898
C -6.178529 -0.838542 0.855193
H -3.365725 0.760070 -0.102842
H -2.129954 0.591436 1.156943
H -2.883213 0.298071 -2.381701
H -1.530950 -0.818843 -2.720976
H 3.331056 -3.356607 1.078880
H 3.685461 -1.942141 2.058210
H -0.035975 0.851506 1.372166
H -0.162788 -1.952034 -1.939090
H -1.531004 2.699603 -1.003193
H -1.325979 2.829571 0.789545
H -2.603655 -2.223364 -0.612192
H -3.366291 -2.315818 -2.255822
H 2.047558 -0.173282 2.141271
H 1.929097 -2.953169 -1.164613
H 7.168533 -3.015905 -0.772936
H 7.889270 -2.921417 0.885425
H 5.634238 0.104274 1.609596
H 3.971493 0.790694 1.314064
H 9.039914 -1.220498 -0.569197
H 8.021197 -0.364343 0.601532
H 7.495604 -0.531848 -1.076827
H 5.613614 2.690801 1.190032
H 5.036747 2.328317 -0.452628
H 6.629404 1.777537 0.050422
H -4.914017 5.009623 -0.042255
H -6.220074 4.364461 0.932481
H -5.020696 5.430304 1.656888
H -7.216514 -0.620971 0.563222
H -6.201718 -1.087029 1.928066
H -5.673662 0.162252 0.838161


%chk=000231350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231350

0 1
S -3.435799 3.073170 1.717085
S -5.044696 -2.338749 0.169008
P 4.669102 -1.700525 0.000498
O 5.898148 -2.043173 1.199713
O 4.808561 0.009058 -0.320771
O -3.180594 3.350025 -0.117516
O -4.491273 -1.379513 -1.377155
O 4.802491 -2.527978 -1.352704
O -4.635396 2.005057 1.954505
O -1.990717 2.823239 2.409789
O -6.114600 -3.486193 -0.223521
O -3.704613 -2.735090 0.993547
N -1.783695 0.014051 -1.307558
C -0.591414 -0.483565 -0.727953
C -2.629712 0.956926 -0.561695
C -2.424297 -0.673441 -2.436706
C 1.859322 -1.462877 0.434047
C 3.133412 -1.985870 1.059100
C -0.091627 0.044779 0.502069
C 0.168110 -1.520246 -1.353260
C -2.169847 2.426478 -0.694964
C -3.270688 -1.905317 -2.022189
C 1.105991 -0.440890 1.059604
C 1.365048 -1.990800 -0.785687
C 7.243063 -2.467069 0.713515
C 4.788240 0.976811 0.809247
C 8.105934 -1.266396 0.309531
C 5.238308 2.317248 0.232768
C -4.074319 4.824443 2.052334
C -5.946495 -0.865764 0.955326
H -3.661259 0.881616 -0.939755
H -2.663481 0.672253 0.509431
H -3.083844 0.039698 -2.962721
H -1.669407 -0.998616 -3.174591
H 3.115186 -3.082131 1.197091
H 3.336145 -1.527647 2.041506
H -0.629687 0.826116 1.047580
H -0.164721 -1.972026 -2.291880
H -2.138510 2.741516 -1.753625
H -1.182454 2.606841 -0.232665
H -2.697518 -2.533919 -1.310934
H -3.561248 -2.505069 -2.905889
H 1.446821 -0.019969 2.014204
H 1.929499 -2.774318 -1.304931
H 7.110938 -3.167911 -0.132763
H 7.670417 -3.008109 1.574258
H 5.469163 0.628565 1.610843
H 3.756445 1.042402 1.208742
H 9.114878 -1.611446 0.014351
H 8.214452 -0.559421 1.150982
H 7.659128 -0.732239 -0.547185
H 5.213732 3.097858 1.016222
H 4.571463 2.623605 -0.590823
H 6.265980 2.243905 -0.161832
H -4.931222 4.962245 1.380130
H -4.358981 4.845567 3.113182
H -3.242168 5.499712 1.816927
H -6.673595 -0.535502 0.201529
H -6.431850 -1.268586 1.855522
H -5.198349 -0.094518 1.187183


