%chk=000191187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191187

0 1
S 1.372211 -0.417973 1.489798
O 3.237810 -2.103950 -1.614052
O 3.336637 1.104328 -2.159288
O -1.326822 -0.079609 -0.408921
O -1.586415 1.983895 -1.311197
O 5.299508 -2.509407 -0.758074
N 1.357118 0.243644 -1.082812
C 1.576013 -0.971358 -0.231811
C 0.879384 1.337551 1.087444
C 0.605921 1.334470 -0.449881
C 3.048417 -1.015718 -0.714678
C 2.751994 0.315955 -1.491318
C -0.338120 1.653559 1.926417
C 2.062156 2.227598 1.419626
C -0.879654 1.155535 -0.788790
C 4.452399 -2.798984 -1.561129
C -2.747057 -0.380963 -0.612439
C 4.417581 -3.845782 -2.611389
C -3.531078 0.138454 0.558472
C -3.807780 -0.695705 1.650555
C -3.982775 1.466977 0.561021
C -4.544348 -0.205641 2.733177
C -4.717792 1.951902 1.644992
C -5.001479 1.115917 2.730601
H 0.933979 -1.835285 -0.482881
H 0.918921 2.318834 -0.908053
H 3.854065 -0.950725 0.043241
H -1.149344 0.913609 1.798617
H -0.108110 1.670404 3.001069
H -0.760894 2.638198 1.680486
H 2.376313 2.118230 2.468559
H 2.948659 2.013298 0.808098
H 1.821320 3.291075 1.278490
H -2.721745 -1.484825 -0.677995
H -3.074896 0.051360 -1.576954
H 3.459761 -3.866304 -3.159845
H 5.218255 -3.680650 -3.352770
H 4.578735 -4.845971 -2.176442
H -3.446598 -1.723208 1.660702
H -3.746895 2.120870 -0.283961
H -4.761051 -0.855238 3.579721
H -5.070841 2.982124 1.643512
H -5.577464 1.494609 3.573382


%chk=000191187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191187

0 1
S 1.285230 -0.184032 1.651360
O 3.045754 -2.278495 -1.515894
O 3.380397 0.947244 -2.298021
O -1.323891 0.209462 -0.739655
O -1.522931 2.522822 -0.999679
O 5.020993 -2.866315 -0.401462
N 1.398615 0.383124 -0.990738
C 1.485167 -0.824183 -0.129478
C 1.004990 1.658837 1.061325
C 0.676149 1.549365 -0.496088
C 2.920834 -1.074191 -0.700540
C 2.711118 0.245818 -1.521812
C -0.136967 2.261970 1.899283
C 2.322353 2.442253 1.246956
C -0.829252 1.503490 -0.781664
C 4.175962 -3.105070 -1.285910
C -2.819441 0.051535 -0.945407
C 4.175880 -4.250047 -2.268718
C -3.563320 0.152352 0.365962
C -3.697244 -0.986164 1.201305
C -4.134143 1.384726 0.776656
C -4.386508 -0.895721 2.430258
C -4.826546 1.475415 2.004814
C -4.953691 0.336109 2.833691
H 0.735023 -1.600833 -0.325486
H 1.062036 2.454554 -0.997058
H 3.737257 -1.017815 0.039653
H -1.055306 1.653937 1.845045
H 0.165727 2.330458 2.958745
H -0.371448 3.282602 1.543406
H 2.668936 2.368351 2.291647
H 3.127466 2.054287 0.598570
H 2.167839 3.512411 1.006791
H -2.888505 -0.952671 -1.391110
H -3.140492 0.822708 -1.665602
H 3.174169 -4.704981 -2.335467
H 4.433234 -3.870771 -3.273957
H 4.919651 -5.000312 -1.964651
H -3.255880 -1.940821 0.890197
H -4.020687 2.267083 0.136879
H -4.484329 -1.779855 3.069670
H -5.266214 2.430045 2.313930
H -5.491985 0.406418 3.785553


