%chk=000270138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270138

0 1
S -4.924808 0.410980 0.347888
O 3.145723 0.445334 -0.449138
O 1.849384 -0.478677 1.198170
O -5.154528 0.348552 1.777371
O -5.545373 1.434928 -0.470984
N 0.931783 0.650829 -0.660699
N -5.437512 -1.107535 -0.296370
C 4.389670 -0.019535 0.226113
C 4.591518 -1.491029 -0.133487
C 5.441469 0.910427 -0.379442
C 6.002714 -1.938969 0.266380
C 6.844893 0.441600 0.025116
C 7.074886 -1.029207 -0.349551
C 1.955340 0.131772 0.158399
C -0.458565 0.577693 -0.373336
C -3.214179 0.471478 0.071513
C -1.344489 1.138175 -1.322466
C -0.953046 -0.021070 0.800880
C -2.714952 1.083284 -1.083201
C -2.328340 -0.058793 1.015830
C -5.345548 -1.237902 -1.767928
C -4.981157 -2.302718 0.448163
H 4.252339 0.133130 1.317374
H 4.433148 -1.638767 -1.219799
H 3.827777 -2.113792 0.373993
H 5.266268 1.952928 -0.053399
H 5.339431 0.921256 -1.483660
H 6.097849 -1.941558 1.370085
H 6.165114 -2.985802 -0.053948
H 7.604381 1.080008 -0.465431
H 6.989215 0.579986 1.114590
H 8.078891 -1.350156 -0.013493
H 7.071657 -1.139815 -1.451325
H 1.221605 1.138114 -1.516676
H -0.970372 1.616771 -2.223879
H -0.265950 -0.443227 1.543219
H -3.407169 1.534651 -1.805456
H -2.714816 -0.501037 1.942590
H -5.808954 -0.349853 -2.241752
H -5.934923 -2.111570 -2.099336
H -4.319297 -1.357356 -2.149390
H -5.576078 -3.180547 0.138335
H -5.178712 -2.156817 1.528904
H -3.916885 -2.547665 0.305228


%chk=000270138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270138

0 1
S -5.046455 0.483127 0.369844
O 3.196894 0.376871 -0.591621
O 1.932997 -0.524745 1.185941
O -5.259226 0.435601 1.981214
O -5.679085 1.633974 -0.590995
N 0.953620 0.540630 -0.696036
N -5.792439 -1.146283 -0.266060
C 4.475067 -0.060327 0.068822
C 4.804079 -1.506566 -0.340052
C 5.551970 0.935804 -0.379932
C 6.183779 -1.919542 0.234154
C 6.931670 0.521649 0.192911
C 7.292333 -0.931090 -0.200970
C 2.009887 0.066485 0.080530
C -0.428773 0.488032 -0.405654
C -3.184744 0.470393 0.051134
C -1.319203 1.045855 -1.367409
C -0.941324 -0.073963 0.797862
C -2.707438 1.040481 -1.142711
C -2.331884 -0.076947 1.025336
C -5.646488 -1.250774 -1.735622
C -5.276843 -2.296417 0.511119
H 4.314918 -0.007822 1.163387
H 4.827030 -1.566749 -1.446285
H 4.012716 -2.188205 0.021402
H 5.279843 1.955813 -0.051486
H 5.593691 0.943649 -1.487031
H 6.128780 -1.945418 1.341878
H 6.428615 -2.946632 -0.095727
H 7.706765 1.224035 -0.167061
H 6.912576 0.607025 1.298891
H 8.259261 -1.219203 0.253724
H 7.422989 -0.989311 -1.301165
H 1.239042 0.993470 -1.567416
H -0.921953 1.493747 -2.286212
H -0.251179 -0.486252 1.536229
H -3.403536 1.495793 -1.854385
H -2.744390 -0.468031 1.961183
H -5.939827 -0.290331 -2.191030
H -6.357636 -2.023002 -2.081255
H -4.623531 -1.535632 -2.072010
H -5.960122 -3.146345 0.331533
H -5.318941 -2.047765 1.584572
H -4.244105 -2.606585 0.232455


