%chk=000186782.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186782

0 1
S -1.189040 1.431818 1.325436
O 0.618543 -0.502378 0.833573
O 3.749868 2.049710 -0.259603
O 4.053735 -0.830800 -0.733558
O 1.067422 3.059987 -0.209251
O 2.058604 -3.415938 -0.562066
O 2.010825 -2.876486 1.718006
N -2.333972 0.053292 -0.786792
C 2.606489 1.151507 -0.430230
C 2.937573 -0.272346 0.049278
C 1.445651 1.776161 0.371129
C 1.642643 -1.128370 -0.017068
C 0.236201 0.829880 0.294711
C 1.899883 -2.530489 0.518353
C -2.577874 0.649607 0.404687
C -3.869742 0.724014 0.986613
C -4.947566 0.152344 0.281925
C -3.386879 -0.498562 -1.457576
C -4.709078 -0.474589 -0.966833
H 2.309664 1.112589 -1.504906
H 3.310730 -0.249951 1.086969
H 1.780006 1.890219 1.424529
H 1.289078 -1.200926 -1.068862
H -0.146565 0.720481 -0.738819
H 4.556019 1.589940 -0.611464
H 3.721072 -1.131583 -1.619228
H 1.892158 3.610039 -0.263328
H 2.298207 -4.319528 -0.218702
H -4.017809 1.207406 1.957137
H -5.957580 0.191007 0.703045
H -3.146167 -0.972298 -2.415751
H -5.520300 -0.932157 -1.540253


%chk=000186782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186782

0 1
S -1.187837 1.424154 1.346146
O 0.588616 -0.515500 0.767217
O 3.726792 2.027777 -0.313725
O 3.897615 -0.734546 -1.059436
O 1.082620 3.072593 -0.146834
O 2.952394 -3.123611 -0.166557
O 1.020449 -3.225387 1.124837
N -2.378442 0.112821 -0.782706
C 2.568078 1.146165 -0.478609
C 2.904457 -0.297429 -0.078172
C 1.441926 1.758595 0.374183
C 1.587402 -1.133459 -0.110540
C 0.215973 0.837034 0.278002
C 1.758916 -2.569651 0.379788
C -2.596449 0.670230 0.432392
C -3.875119 0.723741 1.044793
C -4.967917 0.173772 0.345913
C -3.445464 -0.418487 -1.447452
C -4.756654 -0.412070 -0.927365
H 2.246100 1.137264 -1.543761
H 3.318654 -0.318439 0.951945
H 1.792967 1.824325 1.426429
H 1.229641 -1.172022 -1.166149
H -0.178583 0.768260 -0.754435
H 4.477918 1.635520 -0.828822
H 4.060442 -1.705816 -0.914193
H 1.928018 3.586306 -0.236966
H 3.045155 -4.067741 0.133889
H -4.001774 1.174596 2.033834
H -5.968379 0.197150 0.790394
H -3.225727 -0.860485 -2.425655
H -5.579993 -0.852062 -1.497283


