%chk=000200712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200712

0 1
S 0.074748 -2.021796 1.284727
S 0.202092 2.942005 0.322510
O 1.539162 -1.786353 0.479429
O 0.992234 1.493666 -0.131671
O 3.092767 0.162920 -2.615862
O 5.099616 -1.116159 0.038868
O -0.153288 -0.825802 2.071173
O 0.160688 -3.295503 1.943929
O 0.200397 3.747725 -0.872426
O 0.907557 3.393785 1.493975
C 2.947607 0.075384 -0.167785
C 2.491204 -0.838472 0.995475
C 2.425572 1.518404 0.005829
C 2.467829 -0.511966 -1.516371
C 4.501900 0.165567 -0.163423
C -0.981141 -2.101593 -0.067797
C -1.362928 2.346923 0.662841
C -1.610887 -3.309528 -0.389993
C -1.589083 1.535142 1.779390
C -1.200353 -0.961791 -0.849590
C -2.431097 2.707349 -0.175012
C -2.469056 -3.375071 -1.490788
C -2.886440 1.085237 2.059699
C -2.058119 -1.027642 -1.950934
C -3.719432 2.257984 0.105392
C -2.691485 -2.233970 -2.270227
C -3.946578 1.446316 1.227813
H 3.334807 -1.466799 1.362217
H 2.059895 -0.255400 1.830894
H 2.687078 1.924982 1.005759
H 2.826000 2.184710 -0.783311
H 1.369621 -0.447694 -1.607071
H 2.789415 -1.563253 -1.637513
H 4.884291 0.749911 0.694111
H 4.868005 0.597272 -1.115758
H 2.667014 1.032080 -2.768350
H 4.927797 -1.695820 -0.736323
H -1.431147 -4.204235 0.218807
H -0.758622 1.226625 2.434796
H -0.698116 -0.015835 -0.603428
H -2.250447 3.346195 -1.048057
H -2.960318 -4.314204 -1.743293
H -3.054823 0.448210 2.928943
H -2.229103 -0.141523 -2.561269
H -4.550248 2.539023 -0.539892
H -3.359333 -2.286158 -3.131774
H -4.957148 1.097952 1.447741


%chk=000200712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200712

0 1
S 0.843656 -3.234684 0.765440
S 0.471831 2.703759 0.228791
O 1.770908 -2.218297 -0.508823
O 0.677893 0.851551 0.442349
O 3.216260 1.609977 -1.933806
O 5.367696 0.306903 -0.878719
O 1.029331 -2.457656 2.184451
O 1.228260 -4.803261 0.681068
O 0.997403 3.132389 -1.254104
O 1.097533 3.427113 1.534662
C 3.004724 -0.100990 -0.094764
C 3.052805 -1.646720 -0.016551
C 2.010459 0.447320 0.975681
C 2.663108 0.300013 -1.565289
C 4.446113 0.436322 0.241581
C -0.870413 -2.976011 0.039764
C -1.400547 2.740140 0.237529
C -1.552105 -4.122520 -0.397060
C -2.043392 2.826684 1.483093
C -1.387923 -1.671528 -0.006399
C -2.060416 2.693399 -1.001000
C -2.858968 -3.942974 -0.906757
C -3.456810 2.864275 1.477475
C -2.696234 -1.519630 -0.521630
C -3.474291 2.732224 -0.979528
C -3.426427 -2.648421 -0.965538
C -4.165488 2.813400 0.253025
H 3.850392 -2.046479 -0.668311
H 3.235639 -1.973272 1.027231
H 1.745092 -0.334119 1.713134
H 2.435476 1.310010 1.530147
H 1.573749 0.264099 -1.734444
H 3.144978 -0.426396 -2.239378
H 4.894066 -0.139827 1.071711
H 4.360531 1.497025 0.555645
H 2.532702 2.324279 -1.780263
H 5.042715 0.961641 -1.560612
H -1.079972 -5.108327 -0.338253
H -1.468807 2.876916 2.413203
H -0.799285 -0.807200 0.321431
H -1.494982 2.649857 -1.936979
H -3.426041 -4.811711 -1.255931
H -3.998067 2.933947 2.426069
H -3.137080 -0.518544 -0.577646
H -4.028439 2.706459 -1.923101
H -4.439502 -2.519179 -1.361600
H -5.260030 2.846847 0.259405


