%chk=000191532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191532

0 1
S -0.001136 -0.138290 -1.026987
O -0.138760 -1.563584 -0.621960
O 4.943384 -1.500303 1.052796
O -5.390392 -0.130169 -1.371138
O 6.014338 -0.259698 -0.475900
O -5.885525 -0.842330 0.694028
N 4.080801 1.859949 -0.132498
N -3.600126 0.503553 1.796815
C 1.333410 0.591031 -0.008531
C -1.408699 0.771245 -0.280013
C 2.622395 -0.152425 -0.318441
C -2.661054 -0.073638 -0.443681
C 3.823842 0.504993 0.398382
C -3.848766 0.525476 0.340080
C 5.047625 -0.409372 0.232572
C -5.131345 -0.236239 -0.027981
H 1.104186 0.540344 1.070729
H 1.425739 1.667144 -0.253074
H -1.242390 1.001446 0.790797
H -1.499560 1.744779 -0.790050
H 2.537104 -1.214652 0.013899
H 2.809934 -0.188426 -1.411589
H -2.945099 -0.158496 -1.515775
H -2.463552 -1.118474 -0.102738
H 3.599662 0.591087 1.499159
H -3.999326 1.599645 0.033031
H 4.289255 1.836355 -1.128857
H 4.874141 2.295580 0.332444
H -3.304131 -0.418906 2.110898
H -4.439789 0.746490 2.319923
H 5.712075 -2.128442 0.968365
H -6.218242 -0.611075 -1.645104


%chk=000191532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191532

0 1
S -0.059428 0.102040 -1.955695
O -0.491079 -1.440812 -1.405563
O 3.774800 -1.471169 2.004993
O -5.329934 -0.073791 0.233112
O 5.415985 -0.468441 0.696704
O -4.181103 -1.483368 1.677744
N 3.684793 1.838419 0.361995
N -1.667618 -0.275556 0.962395
C 1.008190 0.822344 -0.517307
C -1.685065 1.212231 -1.642851
C 2.228805 -0.073050 -0.301426
C -2.827082 0.326443 -1.145098
C 3.145603 0.544192 0.799628
C -2.916010 0.250454 0.404025
C 4.246062 -0.478997 1.139114
C -4.158171 -0.555332 0.842486
H 0.318579 0.819835 0.348405
H 1.292896 1.841506 -0.828090
H -1.369506 1.986473 -0.925363
H -1.884641 1.654794 -2.632419
H 1.900346 -1.081992 0.006586
H 2.818109 -0.177491 -1.234499
H -3.786098 0.702232 -1.540636
H -2.676595 -0.704304 -1.531549
H 2.536266 0.692657 1.709196
H -3.103457 1.279103 0.785464
H 4.401653 1.734782 -0.367121
H 4.028334 2.424311 1.130342
H -1.241392 -0.994431 0.341786
H -1.757696 -0.589005 1.935366
H 4.488254 -2.146091 2.171547
H -6.113801 -0.583390 0.576331


