%chk=000296081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296081

0 1
S -0.886072 -2.936472 -0.109351
S -0.088391 1.699813 1.662918
O -1.375151 -1.322439 -0.357727
O -1.605661 1.839311 0.943868
O -0.946765 -3.564723 -1.408163
O -1.736264 -3.421024 0.949922
O -0.017188 0.365562 2.230217
O 0.032896 2.843396 2.530473
C -3.130561 0.359248 -0.296311
C -4.679119 0.473679 -0.227771
C -2.545904 1.195076 -1.456023
C -2.795350 -1.138562 -0.539621
C -2.568679 0.782486 1.094956
C -5.407402 0.008139 -1.484744
C -2.952953 2.665640 -1.442914
C 0.729167 -2.695342 0.376423
C 0.951443 1.862937 0.311948
C 1.772123 -3.106690 -0.469912
C 1.038086 0.840848 -0.640416
C 1.027894 -2.120084 1.618688
C 1.712717 3.029342 0.154005
C 3.097513 -2.949150 -0.080759
C 1.885628 0.976496 -1.740371
C 2.358580 -1.961298 2.012701
C 2.560991 3.170225 -0.941678
C 3.401192 -2.373307 1.170044
C 2.653314 2.142169 -1.899113
C 4.820910 -2.218124 1.599654
C 3.554496 2.304508 -3.076479
H -4.942811 1.533336 -0.027715
H -5.056265 -0.098160 0.643696
H -1.440023 1.117836 -1.415117
H -2.845244 0.738918 -2.420452
H -3.031509 -1.443847 -1.576203
H -3.340238 -1.786192 0.176640
H -3.351175 1.229758 1.737855
H -2.117303 -0.083043 1.622667
H -5.036940 0.519087 -2.382105
H -5.303187 -1.069748 -1.650882
H -6.481347 0.219372 -1.411861
H -2.693650 3.134909 -0.481272
H -4.028516 2.797427 -1.596788
H -2.433077 3.223134 -2.228655
H 1.538222 -3.558473 -1.442097
H 0.433402 -0.072028 -0.529366
H 0.223285 -1.774118 2.287842
H 1.640796 3.834066 0.896590
H 3.900632 -3.274346 -0.738467
H 1.944723 0.176872 -2.476886
H 2.575633 -1.505156 2.978614
H 3.149687 4.077935 -1.059980
H 5.133325 -3.073582 2.220214
H 5.519028 -2.163749 0.753487
H 4.977534 -1.313129 2.204587
H 4.559283 2.639647 -2.780173
H 3.681872 1.377049 -3.651294
H 3.157772 3.060067 -3.773141


%chk=000296081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296081

0 1
S -0.897268 -2.906436 -0.336929
S -0.177893 1.942977 1.594599
O -1.481888 -1.100974 -0.505236
O -1.535111 1.838876 0.313059
O -0.923874 -3.614189 -1.794532
O -1.753049 -3.547914 0.882714
O -0.255772 0.585111 2.487134
O -0.180709 3.359312 2.379043
C -3.459317 0.420853 -0.362205
C -4.985648 0.364190 0.009091
C -3.209760 1.082707 -1.750996
C -2.958980 -1.050986 -0.380499
C -2.790427 1.227369 0.793527
C -5.895764 -0.442721 -0.943848
C -3.713466 2.534248 -1.898861
C 0.880190 -2.595017 0.158583
C 1.217925 1.949131 0.342382
C 1.874355 -3.005951 -0.743922
C 1.221454 0.987862 -0.679723
C 1.146163 -2.015879 1.409316
C 2.203719 2.938029 0.494603
C 3.220108 -2.829965 -0.353982
C 2.300473 1.019549 -1.591124
C 2.500913 -1.847187 1.766843
C 3.267972 2.943002 -0.431867
C 3.552049 -2.255306 0.901740
C 3.333352 1.987997 -1.482768
C 5.000038 -2.097187 1.325369
C 4.474127 2.024347 -2.482992
H -5.360282 1.404636 0.060096
H -5.083808 -0.046303 1.035631
H -2.122805 1.056718 -1.945651
H -3.681271 0.446328 -2.526113
H -3.405742 -1.580086 -1.244109
H -3.253907 -1.563191 0.557144
H -3.457688 2.044779 1.126392
H -2.574528 0.557424 1.650501
H -5.830851 -0.071927 -1.982440
H -5.650837 -1.519522 -0.948706
H -6.949374 -0.348765 -0.623428
H -3.235161 3.199498 -1.158648
H -4.810190 2.612982 -1.784381
H -3.459685 2.921213 -2.902718
H 1.601354 -3.454380 -1.704608
H 0.406942 0.262657 -0.774924
H 0.345042 -1.673819 2.069498
H 2.132547 3.679046 1.296994
H 4.019450 -3.147977 -1.032883
H 2.330850 0.282064 -2.400912
H 2.737819 -1.383313 2.730636
H 4.053945 3.701500 -0.339460
H 5.301757 -2.920556 2.001218
H 5.683730 -2.113525 0.459583
H 5.159103 -1.152092 1.873706
H 5.451827 2.121680 -1.977269
H 4.499307 1.113878 -3.105150
H 4.373950 2.890706 -3.164315


