%chk=000193398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193398

0 1
S -1.352834 -2.445050 -1.068123
O -2.296099 2.232713 -0.719933
O -4.831863 1.681755 -0.199688
O -5.320673 -0.399087 0.639661
O 6.487050 1.251004 0.602189
O 6.295871 -0.321634 -1.013457
N -3.119017 0.268986 0.314529
N -0.854701 0.689157 0.303679
C -0.975846 -0.673287 0.896216
C -2.521401 -0.993114 0.861782
C -0.188601 -1.782362 0.180134
C -2.819298 -2.195989 -0.030094
C 1.091503 -1.377937 -0.537577
C -2.107757 1.195445 -0.141733
C 2.174748 -0.910017 0.446138
C 3.456571 -0.517546 -0.297342
C -4.519118 0.439247 0.284263
C 4.532830 -0.025519 0.675911
C 5.827977 0.226192 -0.045052
C -6.259738 1.966943 -0.283480
C 7.790068 1.627755 0.083083
H -0.626873 -0.592339 1.959553
H -2.918541 -1.163821 1.894216
H 0.036855 -2.593466 0.916266
H -3.709994 -2.042427 -0.674785
H -3.033939 -3.103321 0.565023
H 1.477272 -2.243894 -1.121591
H 0.898384 -0.592863 -1.298465
H -0.037303 0.874468 -0.281666
H 2.393734 -1.715265 1.175323
H 1.807822 -0.053741 1.045893
H 3.242143 0.269848 -1.047928
H 3.847390 -1.380739 -0.878470
H 4.201699 0.894017 1.206897
H 4.716747 -0.775950 1.476239
H -6.253337 2.988584 -0.684442
H -6.739228 1.260821 -0.968084
H -6.707275 1.918912 0.713762
H 7.989372 2.575171 0.594629
H 7.743800 1.751102 -1.004286
H 8.515099 0.855047 0.355009


%chk=000193398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193398

0 1
S -1.466264 -2.352073 -1.184979
O -2.559955 2.287074 -1.036755
O -5.136181 1.503492 -0.287494
O -5.284378 -0.495169 0.924436
O 6.821882 0.944366 0.846789
O 6.282322 -0.078008 -1.175618
N -3.215693 0.314427 0.219064
N -1.034942 0.794494 -0.029534
C -0.990682 -0.446372 0.745457
C -2.517827 -0.826296 0.867426
C -0.221894 -1.609826 0.048990
C -2.775760 -2.180715 0.158331
C 1.098133 -1.225335 -0.638220
C -2.299343 1.260959 -0.374687
C 2.170538 -0.696078 0.347280
C 3.520410 -0.424845 -0.352261
C -4.606228 0.383265 0.323591
C 4.585723 0.106678 0.625958
C 5.946111 0.292394 -0.028391
C -6.612059 1.613254 -0.207852
C 8.198125 1.160710 0.335375
H -0.543823 -0.268051 1.743669
H -2.849536 -0.896222 1.917914
H -0.033578 -2.392740 0.810900
H -3.778640 -2.224372 -0.287736
H -2.661130 -3.012042 0.874794
H 1.500101 -2.119801 -1.152481
H 0.898363 -0.477719 -1.430672
H -0.210672 1.302029 -0.341994
H 2.319698 -1.438957 1.158601
H 1.817780 0.234225 0.840484
H 3.380036 0.301555 -1.175880
H 3.890724 -1.353401 -0.825845
H 4.281225 1.071613 1.074022
H 4.716124 -0.591478 1.477375
H -6.840690 2.543971 -0.744570
H -7.088525 0.744981 -0.693084
H -6.938030 1.667678 0.844375
H 8.721897 1.678905 1.150560
H 8.173705 1.777496 -0.578594
H 8.676429 0.193732 0.105455


