%chk=000291497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291497

0 1
S -2.974514 0.098922 -0.724053
S 4.452723 -1.113855 0.356539
O -2.516424 1.465042 -0.855885
O -2.710094 -0.857380 -1.785708
O 5.711872 -0.785074 0.995657
O 4.044904 -2.490168 0.206807
N -2.325698 -0.537297 0.748494
N 3.308493 -0.279424 1.342960
C -0.303806 0.648028 1.509955
C 1.086773 0.713852 1.683108
C -0.884504 -0.482723 0.883006
C -1.195665 1.778152 1.943816
C 1.736682 1.911304 2.326656
C 1.895330 -0.359153 1.221754
C -0.075362 -1.552030 0.440063
C 1.307567 -1.485810 0.625842
C -0.537412 2.802685 2.809884
C 0.784317 2.863228 2.984078
C -0.672516 -2.744972 -0.229983
C -4.670206 0.070922 -0.370117
C 4.342206 -0.304796 -1.162112
C -5.210546 0.979865 0.544133
C -5.498827 -0.848787 -1.021272
C 5.320576 0.634019 -1.511314
C 3.291326 -0.581472 -2.042358
C -6.581709 0.961205 0.819082
C -6.869320 -0.868366 -0.748655
C 5.244798 1.300115 -2.736719
C 3.212333 0.087004 -3.268263
C -7.409078 0.036549 0.172777
C 4.187813 1.027676 -3.613635
H -1.590924 2.278495 1.016891
H -2.091677 1.368008 2.461505
H 2.481479 1.574446 3.083045
H 2.310880 2.467254 1.548131
H 1.920266 -2.348677 0.338478
H -1.216338 3.508266 3.285917
H 1.251580 3.618974 3.612445
H -2.687010 -1.450060 1.062243
H 3.657738 0.300467 2.118486
H 0.089680 -3.452349 -0.586407
H -1.332129 -3.308087 0.441680
H -1.265049 -2.450051 -1.119577
H -4.566509 1.710542 1.043238
H -5.074948 -1.549750 -1.750840
H 6.150684 0.843320 -0.825999
H 2.525671 -1.320576 -1.780972
H -7.004123 1.668148 1.531783
H -7.515908 -1.583358 -1.255548
H 6.006049 2.029689 -3.008802
H 2.387863 -0.123652 -3.949444
H -8.479061 0.022436 0.385555
H 4.125157 1.550754 -4.569047


%chk=000291497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291497

0 1
S -2.537164 -1.187732 -0.833454
S 4.406313 -0.805994 -0.242607
O -1.255595 -0.385262 -1.494072
O -3.073223 -2.594640 -1.502914
O 5.895410 -0.197989 -0.023252
O 4.146027 -2.324266 -0.740827
N -1.973255 -1.606966 1.346592
N 3.558934 -0.673351 1.582015
C -0.137398 -0.118607 1.860188
C 1.238264 0.155561 1.942157
C -0.599321 -1.428224 1.443311
C -1.184012 0.935154 2.177224
C 1.773087 1.522848 2.352705
C 2.172714 -0.886740 1.600819
C 0.354320 -2.479035 1.138500
C 1.715735 -2.194076 1.246135
C -0.622798 2.236014 2.697424
C 0.702134 2.505049 2.773051
C -0.121325 -3.846886 0.692085
C -3.993928 0.020888 -0.881979
C 3.411021 0.403346 -1.311605
C -3.719798 1.397565 -0.938092
C -5.291245 -0.517628 -0.871316
C 4.046447 1.606164 -1.668460
C 2.094401 0.064671 -1.669404
C -4.819335 2.285642 -0.980753
C -6.378018 0.387118 -0.912073
C 3.303319 2.522326 -2.447598
C 1.362007 1.009244 -2.427525
C -6.141653 1.781349 -0.961186
C 1.968849 2.225551 -2.818710
H -1.789716 1.130904 1.267931
H -1.917384 0.507809 2.889554
H 2.498800 1.409905 3.187948
H 2.356197 1.961892 1.511108
H 2.465963 -2.960069 1.032379
H -1.350917 2.992516 3.017941
H 1.048157 3.474939 3.152355
H -2.219795 -2.610807 1.204962
H 3.876984 0.258992 1.901019
H 0.736129 -4.508896 0.492511
H -0.749631 -4.339501 1.460053
H -0.723223 -3.787486 -0.235371
H -2.685695 1.756067 -0.980212
H -5.442246 -1.601802 -0.859179
H 5.079659 1.802724 -1.364191
H 1.631678 -0.883196 -1.382077
H -4.641919 3.364955 -1.034032
H -7.402996 0.001891 -0.909424
H 3.767989 3.462617 -2.762296
H 0.324244 0.774166 -2.681573
H -6.988520 2.475363 -0.992950
H 1.400731 2.947424 -3.415537


