%chk=000000746.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000746

0 1
S -1.736256 2.179304 1.742397
S -4.002601 2.477475 1.818987
O 1.429469 1.843884 -1.232396
O -1.561295 -1.598565 0.383360
O 4.889285 -1.403298 1.687331
O 6.040027 -2.164178 -0.178312
O -5.749188 0.158970 -1.282072
O -6.723222 -1.644030 -0.215576
N 0.282122 0.261829 0.014095
N 6.443455 0.462032 -0.994673
N -3.323064 -0.321443 -0.400640
C 3.913160 0.390446 -0.737921
C -1.022523 0.612824 -0.554795
C 2.731949 0.369879 0.256899
C 5.325953 0.202474 -0.080822
C 1.445163 0.883978 -0.393266
C -1.466988 2.032138 -0.134562
C -1.993510 -0.523602 -0.143390
C 5.481699 -1.225868 0.431959
C -4.305642 -1.351117 -0.055403
C -5.714171 -1.001106 -0.496599
H 3.913740 1.376788 -1.239215
H 3.773761 -0.371221 -1.529425
H -0.936796 0.624559 -1.664628
H 2.966677 1.042507 1.107465
H 2.583519 -0.634648 0.691329
H 5.379523 0.878071 0.795328
H 0.290494 -0.609021 0.561165
H -0.668120 2.741838 -0.404672
H -2.402428 2.346138 -0.625986
H 6.352683 1.312946 -1.552915
H 6.752847 -0.359979 -1.521349
H -3.677638 0.551850 -0.795803
H -4.325482 -1.536560 1.035494
H -4.025153 -2.319148 -0.514772
H 4.997843 -2.352517 1.969939
H -3.976402 3.867701 1.830430
H -6.686489 0.363771 -1.544486


%chk=000000746-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000000746

0 1
S -1.386791 2.327456 1.970673
S -3.428670 1.507901 2.607738
O 1.386085 1.786964 -1.285349
O -1.783491 -1.256225 0.875051
O 5.063619 -1.026650 1.836725
O 5.951294 -2.137405 0.002192
O -5.595851 0.135036 -1.785185
O -6.750227 -1.583013 -0.719251
N 0.249279 0.269209 0.040053
N 6.373421 0.351631 -1.214329
N -3.314693 -0.300139 -0.580924
C 3.855931 0.298370 -0.839722
C -1.064430 0.706290 -0.424087
C 2.709423 0.321568 0.195641
C 5.296506 0.236247 -0.222700
C 1.410839 0.850714 -0.419007
C -1.425667 2.126802 0.096875
C -2.080644 -0.371002 0.012150
C 5.493205 -1.088385 0.507009
C -4.402410 -1.166260 -0.126000
C -5.700119 -0.933209 -0.875326
H 3.792392 1.230775 -1.432323
H 3.730040 -0.545455 -1.545426
H -1.044930 0.784953 -1.531573
H 2.985914 1.002907 1.026307
H 2.550665 -0.672687 0.650817
H 5.379800 1.047549 0.525013
H 0.237623 -0.482348 0.740389
H -0.639955 2.820210 -0.257002
H -2.403368 2.471382 -0.279135
H 6.270521 1.135301 -1.862960
H 6.615123 -0.535590 -1.666360
H -3.542118 0.416885 -1.273341
H -4.592889 -1.006167 0.955045
H -4.127799 -2.232976 -0.226723
H 5.184328 -1.918810 2.263841
H -4.094377 2.728283 2.551189
H -6.461178 0.264989 -2.257484


