%chk=000282867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282867

0 1
S 4.193311 0.533510 1.966767
O -9.594098 -3.142571 0.667535
O -0.991371 4.166724 -1.213235
O 5.111417 1.885102 2.060697
O 3.937455 -0.488366 3.221511
O 7.500978 -2.320818 -3.297105
O 6.606816 -4.191980 -2.347239
N -7.664011 -0.963969 0.721541
N -3.839624 1.903195 -0.779382
N -1.304382 2.149226 -0.060871
N 6.798208 -2.917209 -2.394995
C -7.161270 0.417937 0.531467
C -8.797731 -1.023147 1.683939
C -8.047129 -1.628720 -0.552003
C -5.730129 0.458116 -0.045515
C -9.206587 -2.484972 1.926566
C -8.472166 -3.082032 -0.282295
C -5.237738 1.900483 -0.269729
C -3.242162 3.235513 -1.037876
C -1.716142 3.244591 -0.798204
C 2.502331 1.037750 1.303868
C -0.011553 1.813561 0.386707
C 4.975474 -0.531857 0.591378
C 1.402897 0.217360 1.608315
C 2.390920 2.242570 0.590989
C 0.137484 0.611993 1.138244
C 1.121807 2.635432 0.121588
C 5.756183 0.112864 -0.381733
C 4.791351 -1.922544 0.654521
C 6.362496 -0.680524 -1.377762
C 5.397300 -2.717781 -0.339969
C 6.162704 -2.078614 -1.340722
H -7.846764 1.022122 -0.119700
H -7.153928 0.907670 1.524873
H -8.478789 -0.567849 2.640856
H -9.686949 -0.455510 1.309269
H -8.889950 -1.086982 -1.053133
H -7.185439 -1.632333 -1.244435
H -5.047314 -0.063898 0.649322
H -5.693975 -0.090395 -1.008722
H -8.360394 -3.034891 2.392080
H -10.093728 -2.547551 2.578046
H -8.838473 -3.565661 -1.202865
H -7.607343 -3.651613 0.121503
H -5.935365 2.430621 -0.960316
H -5.248660 2.454433 0.689084
H -3.753687 1.288780 -1.602540
H -3.681311 3.964701 -0.330558
H -3.420364 3.635465 -2.056611
H -2.113398 1.523285 0.136017
H 1.533739 -0.682613 2.217757
H 3.270891 2.874316 0.430501
H -0.741597 -0.004089 1.359918
H 0.986613 3.563289 -0.438543
H 5.904213 1.196707 -0.339853
H 4.216339 -2.363335 1.475280
H 6.981302 -0.244426 -2.165888
H 5.295292 -3.805772 -0.351343


%chk=000282867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282867

0 1
S 3.304272 -0.449131 2.104312
O -9.369880 -2.674624 1.630733
O -1.170142 4.054309 -1.076999
O 3.921388 0.760523 3.018346
O 2.861633 -1.909471 2.699595
O 8.466885 -0.701676 -2.374457
O 7.640351 -2.812468 -2.628604
N -7.294179 -0.717585 1.039624
N -4.009040 1.815760 -1.790152
N -1.551132 1.727750 -0.835872
N 7.628449 -1.639836 -2.091207
C -6.756951 0.606006 0.643254
C -8.136468 -0.617542 2.263374
C -8.056115 -1.391338 -0.045400
C -5.671152 0.518852 -0.450184
C -8.604912 -2.013970 2.701477
C -8.532973 -2.775832 0.425383
C -4.955015 1.868620 -0.642652
C -3.218852 3.048377 -2.006352
C -1.870044 3.014285 -1.246913
C 1.822472 0.241766 1.166970
C -0.406192 1.267353 -0.155947
C 4.622583 -0.809488 0.773553
C 0.805051 -0.651218 0.790434
C 1.755659 1.625911 0.939034
C -0.315674 -0.127761 0.120836
C 0.634212 2.146888 0.263687
C 5.550548 0.202547 0.479365
C 4.651522 -2.091235 0.200601
C 6.551467 -0.072143 -0.475536
C 5.651578 -2.367954 -0.754721
C 6.575132 -1.349341 -1.078840
H -7.571630 1.298154 0.300570
H -6.310594 1.061646 1.549467
H -7.537160 -0.159904 3.073475
H -9.034072 0.028902 2.089908
H -8.943546 -0.782140 -0.356480
H -7.405081 -1.523841 -0.928706
H -4.939695 -0.260887 -0.167834
H -6.122166 0.211257 -1.415726
H -7.723482 -2.634916 2.970706
H -9.291950 -1.951721 3.561328
H -9.169260 -3.255784 -0.336458
H -7.650331 -3.418371 0.634531
H -5.708143 2.681801 -0.772956
H -4.372487 2.117097 0.265905
H -4.474394 1.486275 -2.644981
H -3.745175 3.974698 -1.695942
H -2.978652 3.159444 -3.080330
H -2.317493 1.070912 -1.095959
H 0.879805 -1.714308 1.041284
H 2.548149 2.287415 1.304472
H -1.127313 -0.797503 -0.185847
H 0.542344 3.215693 0.059547
H 5.503702 1.161285 1.005786
H 3.931477 -2.852540 0.517368
H 7.304535 0.669831 -0.752331
H 5.732132 -3.343534 -1.240541


