%chk=000185180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185180

0 1
S 0.050543 -0.495853 -0.619910
O -1.210776 0.388689 -2.086336
O 2.038771 -0.351169 -2.088160
O 3.127731 -2.305506 -1.876859
O 4.586883 -0.065537 1.858226
N -2.602633 -0.074844 -0.485120
N -2.351874 0.460539 -1.666664
N 2.977297 0.431437 0.324092
C -3.994766 0.061790 0.129385
C -4.374449 -1.276716 0.779915
C -5.011593 0.410768 -0.965044
C -3.928093 1.182645 1.177514
C -1.534025 -0.731472 0.311357
C 1.165604 -1.250441 0.631834
C 2.585550 -0.978074 0.144814
C 2.655374 -1.331333 -1.349299
C 3.995283 0.787357 1.219567
C 4.276650 2.259908 1.298159
H -3.762209 -1.515838 1.655666
H -5.416857 -1.256198 1.123863
H -4.290569 -2.112737 0.073648
H -5.031201 -0.341449 -1.764498
H -4.791775 1.373762 -1.446568
H -6.024728 0.479440 -0.553472
H -3.226619 0.960287 1.988743
H -3.614425 2.135886 0.731787
H -4.910297 1.349059 1.635874
H -1.737442 -1.816161 0.416544
H -1.456935 -0.277075 1.317786
H 0.976769 -2.333782 0.713959
H 1.002514 -0.813921 1.630338
H 3.323694 -1.639121 0.697260
H 2.420819 1.119949 -0.183726
H 5.090816 2.446742 2.018364
H 4.601229 2.673087 0.333041
H 3.406495 2.837550 1.635549
H 1.968847 -0.573570 -3.057530


%chk=000185180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185180

0 1
S -0.295028 1.389720 -0.328885
O -2.556570 1.712966 -2.543005
O 2.789009 -1.841881 -0.406845
O 0.612875 -2.119431 0.332619
O 4.396188 0.631020 1.920223
N -2.832638 0.240558 -0.875102
N -3.407448 1.157871 -1.748379
N 2.783040 0.813816 0.261583
C -3.745897 -0.470927 0.095080
C -3.819426 -1.971162 -0.302430
C -5.158609 0.157202 0.031891
C -3.175988 -0.321459 1.530044
C -1.406344 -0.042536 -0.980543
C 0.489300 0.626523 1.226971
C 1.845435 -0.059505 0.958653
C 1.652601 -1.418927 0.269605
C 4.030600 1.103062 0.799980
C 4.915748 2.012046 -0.040415
H -2.828020 -2.457998 -0.264787
H -4.482545 -2.507346 0.399764
H -4.228974 -2.082936 -1.321570
H -5.607379 0.059749 -0.969057
H -5.135635 1.229763 0.286556
H -5.800695 -0.367438 0.762275
H -2.217210 -0.856488 1.647272
H -3.028800 0.742327 1.785661
H -3.889295 -0.760306 2.249918
H -1.132501 -0.122828 -2.043934
H -1.139440 -0.951242 -0.428550
H -0.224623 -0.076523 1.680314
H 0.640631 1.479171 1.908290
H 2.340856 -0.282365 1.932586
H 2.479419 1.217064 -0.628361
H 5.273864 2.847230 0.584514
H 5.804022 1.443836 -0.367855
H 4.406100 2.418088 -0.930634
H 2.632977 -2.752614 -0.779349


