%chk=000250444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250444

0 1
S 4.114490 0.914087 -1.342032
S -3.760741 0.882223 1.369674
O 2.870837 1.437984 -0.318348
O -2.412801 1.115148 0.370042
O 5.029449 2.025453 -1.470616
O 3.442667 0.426553 -2.525313
O -4.338915 2.196607 1.531076
O -3.280985 0.183158 2.540231
C 0.961559 2.705699 0.245553
C -0.243721 1.850575 -0.152040
C 2.107579 2.582666 -0.758843
C -1.327015 1.888262 0.926135
C 4.774024 -0.334499 -0.390022
C -4.694502 -0.134856 0.372052
C 4.032077 -1.483481 -0.061396
C -5.219026 0.311672 -0.854305
C 6.094223 -0.199714 0.075525
C -4.939443 -1.452875 0.796926
C 4.629181 -2.490883 0.716105
C -5.995934 -0.564414 -1.632026
C 5.945223 -2.355450 1.168527
C -6.243407 -1.871069 -1.200280
C 6.680963 -1.195076 0.843280
C -5.705901 -2.315832 0.027252
C 2.625053 -1.633629 -0.520459
C -4.951618 1.694033 -1.334698
C 6.582180 -3.420772 1.995467
C -7.067158 -2.804060 -2.022082
H 0.667660 3.768525 0.346489
H 1.338840 2.392390 1.244396
H 0.070169 0.800359 -0.326570
H -0.671088 2.190128 -1.116610
H 1.754878 2.406075 -1.792400
H 2.777282 3.464052 -0.730767
H -1.694386 2.913252 1.121470
H -0.997151 1.411619 1.868970
H 6.665153 0.705039 -0.173358
H -4.518636 -1.800074 1.750235
H 4.056596 -3.381031 0.969003
H -6.404612 -0.218813 -2.579513
H 7.703400 -1.083776 1.197120
H -5.892989 -3.332611 0.364931
H 2.174150 -2.595591 -0.247594
H 1.976716 -0.843399 -0.096053
H 2.535367 -1.538796 -1.621679
H -3.870956 1.861834 -1.499929
H -5.460863 1.938439 -2.274872
H -5.264791 2.457932 -0.593612
H 6.859108 -3.039633 2.990716
H 5.930579 -4.290419 2.155883
H 7.506186 -3.793540 1.527661
H -7.444369 -2.346809 -2.946921
H -6.488746 -3.693328 -2.316640
H -7.943537 -3.164134 -1.461541


%chk=000250444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250444

0 1
S 4.396280 1.331887 -1.117825
S -3.930367 1.279122 1.358393
O 2.874731 1.710930 -0.092575
O -2.263188 1.143734 0.508628
O 5.551059 2.413521 -0.762328
O 3.928868 1.176042 -2.663893
O -4.530708 2.751732 1.029706
O -3.780027 0.832037 2.909742
C 0.981122 3.120340 0.391203
C -0.082278 2.049082 0.053331
C 2.247578 3.004706 -0.469572
C -1.321896 2.206393 0.944258
C 4.811045 -0.311152 -0.301654
C -4.789407 -0.093585 0.400470
C 3.996006 -1.447783 -0.506194
C -5.098124 0.064863 -0.969968
C 5.978280 -0.299148 0.480777
C -5.102264 -1.233727 1.159883
C 4.438990 -2.631477 0.141851
C -5.776599 -1.031257 -1.566135
C 5.609427 -2.682098 0.939835
C -6.122834 -2.204855 -0.850456
C 6.376427 -1.498315 1.101860
C -5.776257 -2.293576 0.523585
C 2.730654 -1.444422 -1.339994
C -4.740028 1.294086 -1.780032
C 6.036144 -3.972576 1.614229
C -6.851411 -3.347016 -1.533987
H 0.563393 4.135244 0.230167
H 1.269305 3.053347 1.457673
H 0.346733 1.041706 0.194946
H -0.383839 2.137067 -1.008041
H 2.000386 3.000007 -1.549557
H 2.950424 3.830581 -0.249519
H -1.791474 3.201050 0.807203
H -1.065618 2.061738 2.011907
H 6.552985 0.626278 0.589818
H -4.826034 -1.276756 2.218406
H 3.838896 -3.540599 0.015557
H -6.037385 -0.957019 -2.628675
H 7.284117 -1.513491 1.715389
H -6.032952 -3.191864 1.096187
H 2.239709 -2.430133 -1.301629
H 2.020101 -0.681976 -0.972917
H 2.946583 -1.192922 -2.393244
H -3.651054 1.478990 -1.746985
H -5.046178 1.168949 -2.831181
H -5.226094 2.197111 -1.370742
H 6.031118 -3.865608 2.715158
H 5.367788 -4.810332 1.354296
H 7.064235 -4.254628 1.321012
H -7.036398 -3.134406 -2.600116
H -6.269222 -4.285102 -1.471204
H -7.828449 -3.539520 -1.052847


