%chk=000273715.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273715

0 1
S 3.300972 -1.351020 -1.321127
O 2.017949 0.691283 -2.416764
O -0.171568 -1.153867 -0.693036
O 0.579795 -1.681514 -4.097898
O -1.343486 2.034723 -2.076560
O -2.421995 -1.181197 -0.927158
O -0.811897 3.384680 -0.344907
C -0.010532 -0.548211 -1.999367
C 0.710920 0.796544 -1.771925
C 0.995194 -1.454068 -2.760508
C 2.320367 -0.672060 -2.710593
C 0.048925 1.988759 -2.471552
C 4.399284 0.044905 -0.901379
C -1.454733 -1.442771 -0.248706
C 4.621868 -0.062666 0.569884
C -1.389424 -2.065846 1.089664
C -1.665856 2.772255 -0.941926
C 5.660415 -0.864917 1.070063
C 3.793983 0.637423 1.462976
C -3.115740 2.670514 -0.674231
C -2.596206 -2.439441 1.705923
C -0.163313 -2.283377 1.737641
C 5.867107 -0.962090 2.448537
C 4.007047 0.536237 2.839716
C 5.043082 -0.262190 3.335428
C -2.570866 -3.030173 2.969981
C -0.148056 -2.875090 3.002966
C -3.740928 3.726362 0.011410
C -3.852340 1.547280 -1.076534
C -1.348370 -3.247476 3.617278
C -5.107837 3.657409 0.281793
C -5.220916 1.486096 -0.797964
C -5.847034 2.538687 -0.124000
H -0.997457 -0.456894 -2.508783
H 0.896978 0.984133 -0.690123
H 1.039466 -2.486276 -2.335496
H 2.895374 -0.648819 -3.656573
H 0.557894 2.939889 -2.219761
H -0.008254 1.870320 -3.567955
H 0.486517 -0.841305 -4.598455
H 5.336804 -0.029779 -1.483860
H 3.917237 1.004719 -1.191169
H 6.303792 -1.415628 0.385964
H 2.983032 1.257717 1.083524
H -3.543810 -2.264306 1.190076
H 0.771693 -1.988549 1.248232
H 6.673363 -1.585365 2.831973
H 3.363834 1.082499 3.528145
H 5.207913 -0.337489 4.408046
H -3.502725 -3.321971 3.452532
H 0.801809 -3.045487 3.509301
H -3.152750 4.589748 0.330286
H -3.352495 0.718545 -1.594658
H -1.332567 -3.709341 4.605045
H -5.599451 4.472731 0.810353
H -5.795249 0.613285 -1.107330
H -6.914962 2.489039 0.089462


%chk=000273715-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273715

0 1
S 3.047120 -1.413191 -0.817085
O 1.987080 0.493696 -2.600245
O -0.308212 -1.444830 -0.883339
O 0.923778 -1.701684 -4.350862
O -1.455475 1.819623 -2.064685
O -2.594893 -1.520071 -1.383355
O -0.760899 3.568222 -0.677002
C -0.003669 -0.841500 -2.197560
C 0.633212 0.561071 -1.969119
C 1.110153 -1.678176 -2.895477
C 2.401989 -0.916966 -2.534989
C -0.092663 1.733458 -2.635171
C 4.521561 -0.175199 -0.763362
C -1.652348 -1.746715 -0.586850
C 4.889177 0.140959 0.665551
C -1.779372 -2.351036 0.767654
C -1.659226 2.772970 -1.045452
C 5.956799 -0.539113 1.305617
C 4.171064 1.126095 1.393542
C -3.044600 2.708373 -0.506075
C -3.074220 -2.730137 1.209521
C -0.652564 -2.551643 1.608675
C 6.303220 -0.240299 2.642967
C 4.516523 1.428021 2.728239
C 5.584338 0.744926 3.358023
C -3.241511 -3.307883 2.484054
C -0.827529 -3.129561 2.883448
C -3.455889 3.730114 0.390486
C -3.936329 1.657544 -0.849131
C -2.118613 -3.508661 3.322771
C -4.756908 3.708837 0.931616
C -5.235446 1.641159 -0.299229
C -5.649192 2.664826 0.586089
H -0.925874 -0.817183 -2.803285
H 0.747780 0.731446 -0.882936
H 1.095279 -2.732028 -2.584575
H 3.207806 -1.043431 -3.273587
H 0.451157 2.677328 -2.460177
H -0.235762 1.560910 -3.714346
H 1.065957 -0.783537 -4.702407
H 5.357054 -0.637690 -1.313299
H 4.157678 0.715083 -1.302730
H 6.517800 -1.303557 0.753930
H 3.340749 1.654580 0.909515
H -3.927178 -2.564882 0.542968
H 0.339847 -2.253953 1.258270
H 7.132122 -0.772043 3.123565
H 3.957064 2.194548 3.276056
H 5.853444 0.979984 4.393912
H -4.240194 -3.601274 2.824733
H 0.040101 -3.283900 3.533672
H -2.745718 4.523360 0.646467
H -3.605005 0.861589 -1.521986
H -2.249417 -3.957748 4.313791
H -5.076337 4.499049 1.619477
H -5.922601 0.828851 -0.558710
H -6.660415 2.647869 1.008315


