%chk=000003111.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003111

0 1
 S    3.521300     -0.9329000      0.8472000    
 O   3.8899999E-02  -1.530700      -1.022500    
 O    4.475300      -2.252300      0.7616000    
 O    4.353000      0.2258000       1.099800    
 O    2.371200      -1.245600       1.670400    
 N  -0.6885000       1.529300      0.4350000    
 N   -1.108800      0.2422000      6.8000004E-02
 N    2.243200      0.2751000      -1.246400    
 C    1.073000      0.5916000     -0.6536000    
 C   0.6002000       1.700400     -6.5099999E-02
 C  -3.5599999E-02 -0.4068000     -0.5514000    
 C    3.014200     -0.9183000     -0.8685000    
 C   -2.468700     -0.1563000      3.9700001E-02
 C    1.335100       2.986200      0.1156000    
 C   -1.051500       2.029200       1.757500    
 C    2.733900       1.007600      -2.418000    
 C   -2.804000      -1.509500     -6.9700003E-02
 C   -3.484900      0.8008000      0.1209000    
 C   -4.142400      -1.901600     -9.7400002E-02
 C   -4.823100      0.4086000      9.3099996E-02
 C   -5.151900     -0.9426000     -1.6100001E-02
 H    3.942700     -0.9607000      -1.450700    
 H    2.460200      -1.840000      -1.065900    
 H    2.331700       2.960900     -0.3353000    
 H    1.466300       3.212700       1.178400    
 H   0.7801000       3.808100     -0.3482000    
 H   -1.070000       3.124200       1.752700    
 H  -0.3185000       1.700100       2.503400    
 H   -2.030200       1.687200       2.102600    
 H    3.733400       1.407500      -2.218700    
 H    2.078900       1.845100      -2.682200    
 H    2.787700      0.3396000      -3.284200    
 H   -2.049200      -2.288200     -0.1060000    
 H   -3.272800       1.865100      0.1681000    
 H   -4.398900      -2.954000     -0.1762000    
 H   -5.609700       1.155600      0.1478000    
 H   -6.193900      -1.247800     -3.8199998E-02
 H    5.328400      -2.129200      0.2826000    


%chk=000003111-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003111

0 1
S 2.323464 -1.387385 1.669924
O -0.987624 -0.442572 -2.630378
O 1.829005 0.157323 2.866701
O 3.497202 -0.715584 0.701718
O 0.896972 -1.478603 0.860224
N -0.115733 1.339121 0.291414
N -1.055281 0.636533 -0.505344
N 1.954917 0.328111 -2.489852
C 0.954758 0.708308 -1.578132
C 1.088306 1.399959 -0.341741
C -0.421069 0.219617 -1.702863
C 1.675368 -0.267584 -3.650193
C -2.260953 0.057271 0.036412
C 2.231601 2.166039 0.260528
C -0.448339 1.822137 1.639908
C 3.385086 0.473500 -2.068247
C -2.157636 -1.063663 0.896609
C -3.514412 0.583068 -0.347525
C -3.343927 -1.641820 1.397745
C -4.693170 -0.015371 0.150648
C -4.607749 -1.121963 1.027810
H 2.508024 -0.610742 -4.266191
H 0.629179 -0.442933 -3.914363
H 3.028279 1.457234 0.552060
H 1.915385 2.695551 1.170639
H 2.631545 2.907437 -0.453687
H -0.421257 2.925780 1.672548
H 0.277705 1.373714 2.349672
H -1.463294 1.484372 1.893579
H 3.512593 -0.032138 -1.081467
H 3.639696 1.541158 -1.985197
H 4.022975 0.004497 -2.831900
H -1.158718 -1.455362 1.136671
H -3.557236 1.434752 -1.034044
H -3.281158 -2.508264 2.065022
H -5.671280 0.378361 -0.145708
H -5.523500 -1.583174 1.414528
H 2.646375 0.359715 3.402571


