%chk=000210283.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210283

0 1
S -6.569146 0.377838 -1.143860
S -7.155894 -0.865286 0.385707
O 7.611529 -0.865042 -0.255293
O -5.938213 -2.009572 0.220443
O -6.944526 -0.223529 1.636915
O -8.359895 -1.537194 0.028554
N -2.676227 0.966137 -0.122636
C 3.658937 0.555068 -0.116362
C 3.900671 -0.842864 0.489936
C 4.803818 1.510070 0.284397
C 5.253220 -1.412394 0.051409
C 6.164185 0.960366 -0.153091
C 6.392753 -0.447901 0.416019
C 2.303663 1.134518 0.335593
C 1.117120 0.413145 -0.317049
C -0.218412 1.014490 0.137787
C -1.402271 0.290520 -0.523394
C 8.304979 -1.954038 0.373959
C -3.877783 0.234643 -0.633540
C -5.075126 1.167413 -0.463066
H 3.657192 0.461198 -1.230013
H 3.853164 -0.789101 1.593996
H 3.089670 -1.530509 0.184756
H 4.644073 2.504850 -0.172418
H 4.796257 1.672825 1.378739
H 5.266111 -1.588581 -1.042404
H 5.422689 -2.400099 0.514950
H 6.982022 1.630791 0.170472
H 6.236610 0.921215 -1.258735
H 6.566281 -0.422856 1.511392
H 2.260810 2.212547 0.083483
H 2.218590 1.084722 1.437619
H 1.150593 -0.666195 -0.070608
H 1.202853 0.474380 -1.419781
H -0.301982 0.962780 1.240157
H -0.258225 2.094032 -0.115101
H -1.316529 0.359531 -1.631232
H -1.383088 -0.790714 -0.266556
H 8.589144 -1.692752 1.397327
H 7.697994 -2.863199 0.351524
H 9.195282 -2.069497 -0.256797
H -2.726181 1.032119 0.901100
H -3.724328 -0.003617 -1.711314
H -4.051425 -0.740805 -0.119341
H -4.924180 2.113939 -1.028840
H -5.230548 1.465407 0.594902
H -6.203333 -2.944500 0.226299


%chk=000210283-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210283

0 1
S -6.621573 0.487119 -1.418142
S -7.617210 -0.436643 0.666139
O 7.965822 -0.548221 -0.036422
O -7.375304 -2.237218 0.253171
O -6.598053 -0.058161 1.875393
O -9.203299 -0.205746 0.887215
N -2.663043 0.588101 -0.238942
C 3.767418 0.568042 -0.142486
C 4.120496 -0.889372 0.255855
C 4.827863 1.541365 0.436912
C 5.561875 -1.273297 -0.162021
C 6.267801 1.157836 0.026593
C 6.592433 -0.288261 0.433414
C 2.344778 0.984785 0.307865
C 1.188726 0.225599 -0.383085
C -0.196914 0.775779 0.022543
C -1.363304 0.030494 -0.654498
C 8.561196 -1.763796 0.513959
C -3.880841 0.048629 -0.853023
C -5.039558 1.028429 -0.585190
H 3.814918 0.637803 -1.252634
H 4.012585 -0.992602 1.357303
H 3.407004 -1.601839 -0.200419
H 4.609048 2.575137 0.104471
H 4.745314 1.541960 1.545009
H 5.655748 -1.244123 -1.266158
H 5.779964 -2.309823 0.159571
H 7.005483 1.839883 0.487940
H 6.388033 1.242712 -1.071597
H 6.568730 -0.372817 1.547971
H 2.217737 2.070623 0.112933
H 2.262109 0.856340 1.408416
H 1.241108 -0.853925 -0.136617
H 1.307835 0.304051 -1.484037
H -0.307200 0.703623 1.125840
H -0.265843 1.851216 -0.233040
H -1.284222 0.131214 -1.755564
H -1.286123 -1.061959 -0.429016
H 8.511722 -1.772264 1.624830
H 8.077545 -2.685536 0.129339
H 9.616799 -1.755095 0.197724
H -2.741491 0.743209 0.774302
H -3.706964 -0.042373 -1.942297
H -4.168547 -0.963439 -0.484423
H -4.808219 2.050285 -0.938089
H -5.255034 1.081434 0.503464
H -8.034447 -2.754857 0.805536


