%chk=000106250.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106250

0 1
S 1.087575 4.005207 -0.169657
O -0.723615 -2.355373 -1.429827
O -3.832411 1.610443 0.194631
O 1.553902 3.866629 1.444394
O 2.324403 4.124112 -0.889544
O 0.124383 5.087162 -0.191400
O 6.032243 -2.511923 1.482874
N 1.523992 -0.875927 -1.374910
N -1.904253 3.359522 0.013514
C -0.752894 -0.104278 -0.651460
C -1.605272 0.958224 -0.291709
C 0.614575 0.116692 -0.884636
C -1.083331 2.297266 -0.214369
C 0.327755 2.494313 -0.389506
C -2.631952 -1.773443 -0.171634
C -3.461515 -0.710172 0.219675
C -1.316350 -1.494774 -0.806545
C -3.021826 0.706482 0.034816
C 1.138535 1.425844 -0.734865
C -3.051989 -3.095783 0.007318
C -4.711945 -0.974370 0.787156
C 2.626612 -1.284822 -0.548535
C -4.300482 -3.356070 0.587389
C -5.127440 -2.299642 0.974172
C 3.543424 -2.195527 -1.131531
C 2.851453 -0.789306 0.744990
C 4.672833 -2.590924 -0.431451
C 3.991757 -1.175991 1.456669
C 4.885680 -2.069575 0.860060
H 2.217586 1.575131 -0.917145
H 1.057700 -1.666517 -1.858563
H -2.403060 -3.916387 -0.312725
H -5.357852 -0.139401 1.077363
H -1.568302 4.333269 0.046980
H -2.918003 3.227438 0.133669
H -4.625567 -4.387387 0.731297
H -6.101969 -2.502461 1.420840
H 3.364368 -2.579217 -2.136618
H 2.142918 -0.109173 1.215245
H 2.220698 4.493854 1.759279
H 5.395811 -3.287110 -0.854269
H 4.168319 -0.786792 2.454928
H 6.141409 -2.113443 2.379240


%chk=000106250-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106250

0 1
S 1.200844 3.859873 -0.095030
O -0.743225 -2.745376 -0.267912
O -3.964660 1.733603 0.129404
O 1.354114 3.968867 1.756695
O 2.676282 3.698813 -0.730466
O 0.236097 5.076190 -0.585279
O 6.974680 -1.952230 0.313508
N 1.376536 -1.323427 -0.207893
N -1.912403 3.290324 0.049528
C -0.872102 -0.333223 -0.093841
C -1.712868 0.837939 -0.024021
C 0.567077 -0.203679 -0.146297
C -1.139759 2.168150 -0.012681
C 0.296697 2.217862 -0.107171
C -2.942100 -1.810151 -0.044814
C -3.769843 -0.655206 0.046111
C -1.473555 -1.676435 -0.138841
C -3.179750 0.705372 0.051479
C 1.126141 1.113710 -0.169349
C -3.531933 -3.101395 -0.053502
C -5.178218 -0.804535 0.128822
C 2.787333 -1.403306 -0.056912
C -4.928964 -3.240350 0.031629
C -5.755036 -2.087875 0.122911
C 3.485250 -2.383105 -0.817730
C 3.514891 -0.611663 0.871888
C 4.872190 -2.554063 -0.674561
C 4.908422 -0.770602 1.008967
C 5.590399 -1.737543 0.231495
H 2.204545 1.255697 -0.288473
H 0.809960 -2.204287 -0.317286
H -2.871224 -3.970126 -0.127460
H -5.789086 0.100499 0.195625
H -1.488025 4.218484 -0.057842
H -2.934664 3.119039 0.103879
H -5.381548 -4.237644 0.026957
H -6.842653 -2.199459 0.187424
H 2.930707 -3.001401 -1.531789
H 2.994569 0.098696 1.521647
H 1.747694 4.864024 1.975535
H 5.415528 -3.300953 -1.260021
H 5.453915 -0.152091 1.732893
H 7.395647 -1.331217 0.958372


