%chk=000108061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108061

0 1
S -4.296688 -0.390374 -0.840425
O 6.913570 2.325799 0.701821
O -7.801660 0.150321 0.673038
O -7.112610 -0.448823 -1.295074
N 4.612647 -0.178367 -0.847068
N -0.884687 0.489911 0.125438
N -1.773776 -0.397869 0.159751
N -3.656190 0.312609 1.597835
N -6.927336 -0.112056 -0.135159
C 3.256164 -0.066916 -0.549049
C 5.505423 1.001323 -0.753225
C 5.300903 -1.500220 -0.810292
C 2.438753 -1.221306 -0.441889
C 1.065284 -1.126234 -0.231642
C 2.643385 1.217522 -0.423710
C 5.867426 1.352981 0.704667
C 5.605681 -1.979418 0.606465
C 0.461925 0.161598 -0.111447
C 1.286067 1.319001 -0.213444
C 0.255623 -2.368761 -0.127898
C -3.108586 -0.044954 0.425822
C -5.558590 -0.025821 0.287667
C -5.042010 0.322358 1.525118
H 5.030083 1.871475 -1.261088
H 6.442707 0.799091 -1.323727
H 4.664337 -2.245247 -1.344622
H 6.242322 -1.416674 -1.400960
H 2.886230 -2.209756 -0.532694
H 3.240448 2.121764 -0.508205
H 6.325849 0.488579 1.232801
H 5.000059 1.715217 1.281636
H 6.260886 -1.276769 1.143806
H 4.693900 -2.094108 1.207495
H 6.112661 -2.952004 0.593622
H 0.817437 2.305375 -0.118530
H -0.294514 -2.414261 0.829279
H -0.519320 -2.410689 -0.913584
H 0.849034 -3.287797 -0.206066
H 6.569137 3.207038 0.451941
H -5.622773 0.596762 2.408595


%chk=000108061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108061

0 1
S -4.375331 -1.348976 -0.214583
O 6.877595 2.557846 0.875143
O -7.767588 0.444458 0.955818
O -7.375476 -1.603926 -0.016761
N 4.672949 -0.157106 -0.633452
N -0.904025 0.532233 0.002833
N -1.800406 -0.453525 -0.067057
N -3.594528 1.055213 0.765041
N -6.980094 -0.460691 0.457796
C 3.299020 -0.036806 -0.455065
C 5.560740 1.023110 -0.560311
C 5.315177 -1.481085 -0.836615
C 2.439370 -1.189746 -0.477338
C 1.044653 -1.120107 -0.341375
C 2.677846 1.245748 -0.257993
C 5.903757 1.462028 0.889949
C 5.567002 -2.272794 0.467681
C 0.438610 0.187149 -0.160162
C 1.297434 1.335774 -0.121729
C 0.247275 -2.405940 -0.383299
C -3.100297 -0.066296 0.202339
C -5.574179 -0.175615 0.431430
C -4.963243 0.998733 0.888042
H 5.111651 1.870552 -1.113330
H 6.508849 0.782240 -1.070737
H 4.696559 -2.077709 -1.531486
H 6.276124 -1.304203 -1.350734
H 2.876372 -2.184191 -0.602528
H 3.273059 2.160689 -0.218792
H 6.409310 0.643353 1.426244
H 4.985662 1.731527 1.450209
H 6.267477 -1.738245 1.132642
H 4.629346 -2.443177 1.024221
H 6.009925 -3.257049 0.229804
H 0.808033 2.303952 0.024819
H -0.356326 -2.533675 0.532122
H -0.485834 -2.393881 -1.208335
H 0.916553 -3.276143 -0.502482
H 6.432443 3.402992 0.614789
H -5.516264 1.833588 1.320243


