%chk=000267549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267549

0 1
S 2.892790 1.038975 1.166967
O -1.834665 -0.354104 0.697275
O -2.381953 0.987614 -1.802275
O 1.510577 0.615914 0.268849
O -3.543060 -2.108035 1.636685
O 2.939701 0.112904 2.268862
O 2.763693 2.452757 1.415089
C -0.771456 0.257297 -0.099631
C -1.341670 1.440182 -0.888645
C 0.254253 0.667185 0.964120
C -2.983894 -0.587808 -0.046600
C -3.262733 0.080094 -1.249220
C -3.918348 -1.526926 0.458175
C -4.439590 -0.177341 -1.972721
C 4.086470 0.703504 -0.008003
C -5.099604 -1.776717 -0.252278
C -5.341167 -1.104932 -1.459719
C 4.524674 1.715270 -0.873189
C 4.628552 -0.584827 -0.110705
C 6.038020 0.149849 -1.944458
C 5.495018 1.443205 -1.835429
C 5.599150 -0.862197 -1.071394
C -4.463620 -3.076045 2.244247
C 7.084203 -0.141640 -2.965464
C -3.732134 -3.482046 3.507955
H -0.360188 -0.526290 -0.777586
H -1.790747 2.208619 -0.234748
H -0.603458 1.893399 -1.574733
H 0.259963 -0.065591 1.800730
H 0.089757 1.687439 1.357128
H -4.621543 0.348664 -2.905245
H -5.830769 -2.487914 0.114352
H -6.261373 -1.315777 -2.005932
H 4.108499 2.726574 -0.789815
H 4.294228 -1.377175 0.569817
H 5.832892 2.233981 -2.503465
H 6.017664 -1.864834 -1.145264
H -5.421632 -2.567839 2.446235
H -4.603262 -3.913478 1.540002
H 6.994635 0.494957 -3.857347
H 8.091029 0.029056 -2.550734
H 7.055683 -1.183990 -3.314224
H -4.301661 -4.219766 4.082924
H -2.746589 -3.911610 3.276155
H -3.543140 -2.612559 4.154459


%chk=000267549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267549

0 1
S 3.118738 0.615402 1.409256
O -1.819162 -0.535720 0.786490
O -1.906987 0.320514 -2.005372
O 1.544385 0.898997 0.418469
O -3.886740 -1.876015 1.849852
O 3.001006 -0.863822 2.065936
O 3.400040 1.905937 2.342851
C -0.610221 -0.093048 0.050625
C -1.002652 0.939374 -1.014866
C 0.317348 0.474729 1.130969
C -2.919776 -0.815493 -0.057099
C -2.962283 -0.416016 -1.416289
C -4.015270 -1.536737 0.497995
C -4.062260 -0.749365 -2.236045
C 4.294476 0.600382 -0.042219
C -5.122987 -1.862732 -0.321266
C -5.133209 -1.474479 -1.682755
C 4.882622 1.814740 -0.428734
C 4.553978 -0.628837 -0.669151
C 6.088767 0.569694 -2.185816
C 5.786088 1.783687 -1.513141
C 5.463143 -0.629013 -1.748343
C -4.986793 -2.643704 2.466718
C 7.086179 0.546716 -3.328260
C -4.586875 -2.888426 3.919121
H -0.142891 -0.970943 -0.436995
H -1.509478 1.803380 -0.540001
H -0.122538 1.281457 -1.579715
H 0.542967 -0.317337 1.871087
H -0.143006 1.342141 1.636829
H -4.056663 -0.426567 -3.280779
H -5.971314 -2.416872 0.088420
H -5.991661 -1.735833 -2.309995
H 4.654175 2.742658 0.104574
H 4.076237 -1.548634 -0.317582
H 6.260018 2.715808 -1.840324
H 5.687115 -1.572612 -2.258319
H -5.927926 -2.059319 2.400151
H -5.123890 -3.599103 1.918979
H 7.105786 1.507365 -3.870940
H 8.109646 0.362639 -2.948113
H 6.856532 -0.253583 -4.052542
H -5.374692 -3.465038 4.437591
H -3.642795 -3.456653 3.970638
H -4.443983 -1.931721 4.449314


