%chk=000185266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185266

0 1
S -2.661544 0.299076 1.026879
O -1.574702 -0.026157 -1.364986
N -0.251078 -0.678631 0.397833
C 0.864859 -1.142156 -0.490470
C 2.113994 -0.330685 -0.186517
C 1.048005 -2.656214 -0.369074
C -0.094049 -0.786049 1.864413
C -1.394801 -0.165533 -0.172480
C 2.186273 0.980697 -0.686555
C 3.179528 -0.838656 0.566626
C -3.997110 0.944985 -0.090222
C 3.312595 1.767505 -0.439369
C 4.308177 -0.048363 0.810595
C -5.251801 0.912247 0.759013
C -3.606597 2.329548 -0.560384
C 4.377580 1.253831 0.309309
H 0.549266 -0.918894 -1.556596
H 1.862322 -3.002647 -1.017474
H 0.135261 -3.184179 -0.677403
H 1.272928 -2.979393 0.652919
H -0.224257 0.198697 2.351503
H 0.917523 -1.141965 2.122280
H -0.824939 -1.495516 2.292202
H -4.073992 0.245679 -0.959643
H 1.356622 1.387253 -1.266770
H 3.142881 -1.851325 0.963875
H 3.361804 2.782678 -0.830268
H 5.134441 -0.451692 1.393460
H -6.119006 1.262981 0.181390
H -5.491559 -0.100795 1.110624
H -5.181828 1.558655 1.644445
H -4.398506 2.777662 -1.175199
H -2.699651 2.295670 -1.185480
H -3.409260 3.021623 0.267601
H 5.256019 1.867161 0.499720


%chk=000185266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185266

0 1
S -2.739905 0.327324 1.148310
O -1.574454 -0.099795 -1.318544
N -0.235286 -0.634688 0.526802
C 0.852116 -1.172278 -0.358406
C 2.144189 -0.366355 -0.154860
C 0.989831 -2.697637 -0.176363
C -0.052417 -0.717322 1.985796
C -1.394670 -0.178142 -0.068792
C 2.110718 1.034076 -0.391529
C 3.367771 -0.956817 0.244846
C -4.007776 0.991685 -0.130993
C 3.268271 1.823227 -0.231716
C 4.531744 -0.167708 0.406567
C -5.401079 0.887472 0.511091
C -3.632850 2.418223 -0.562034
C 4.486627 1.223581 0.170246
H 0.485396 -0.978803 -1.383727
H 1.726404 -3.107863 -0.890010
H 0.017963 -3.181762 -0.372914
H 1.311673 -2.971659 0.844861
H -0.522880 0.148654 2.481547
H 1.027285 -0.691177 2.209488
H -0.487210 -1.642767 2.408916
H -3.903411 0.301547 -0.985662
H 1.167594 1.499620 -0.702162
H 3.424526 -2.035133 0.427339
H 3.224626 2.901451 -0.422399
H 5.470982 -0.640577 0.715540
H -6.163623 1.233072 -0.212309
H -5.639690 -0.151747 0.796314
H -5.479780 1.523264 1.412113
H -4.361121 2.786171 -1.311355
H -2.631413 2.434756 -1.023321
H -3.642635 3.110835 0.298885
H 5.387881 1.834368 0.294234


