%chk=000149558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149558

0 1
 S   -5.588000       1.885700       1.299500    
 O   -2.383200     -0.8364000      -2.916600    
 O   -6.878600       1.946600       1.959900    
 O   -4.397000       2.378900       1.962400    
 O    3.515500       4.730400     -0.5937000    
 N  -0.2269000      -1.138700      -1.133600    
 N    3.398400      -1.758900      0.8766000    
 N   -5.349300      0.2824000      0.7176000    
 N    4.567700       2.861200      0.3851000    
 C    1.002600      -1.349100     -0.4523000    
 C    1.878600     -0.2767000     -0.2558000    
 C    1.325800      -2.626700      1.6200000E-02
 C    3.082300     -0.5304000      0.4232000    
 C    2.551100      -2.788400      0.6846000    
 C   -1.505600     -0.7845000     -0.6837000    
 C    1.579500       1.017500     -0.7161000    
 C    3.958600      0.5332000      0.6221000    
 C   0.4645000      -3.722400     -0.1676000    
 C    3.664400       1.820600      0.1661000    
 C    2.472600       2.063700     -0.5045000    
 C   -2.570700     -0.6379000      -1.581100    
 C    2.878500      -4.057900       1.153400    
 C   -1.728200     -0.5738000      0.6825000    
 C   -4.051500     -7.7100001E-02  0.2438000    
 C   -3.838800     -0.2853000      -1.118900    
 C   0.8153000      -4.981300      0.3107000    
 C   -2.996100     -0.2213000       1.144500    
 C    2.024900      -5.149100      0.9725000    
 C    4.447800       4.205000      6.2000002E-03
 C   -5.755400       2.757700     -0.2419000    
 C   -2.005200      0.2983000      -3.692800    
 C    5.646600       5.014900      0.4318000    
 H  -0.1570000      -1.308100      -2.132700    
 H   0.6581000       1.240000      -1.248000    
 H    4.896200      0.3528000       1.147100    
 H  -0.4867000      -3.627400     -0.6848000    
 H    2.172200       3.028100     -0.8888000    
 H    3.820800      -4.215100       1.675200    
 H  -0.9269000     -0.6814000       1.408900    
 H   -4.659100     -0.1736000      -1.824300    
 H   0.1490000      -5.826200      0.1665000    
 H   -3.149000     -7.5400002E-02   2.210600    
 H    2.308400      -6.127300       1.349500    
 H   -6.119900     -9.4899997E-02  0.1497000    
 H    5.416800       2.602000      0.8830000    
 H   -6.576000       2.318500     -0.8122000    
 H   -5.982500       3.801600     -1.3700000E-02
 H   -4.816000       2.699700     -0.7940000    
 H   -1.064700      0.7239000      -3.329500    
 H   -2.793700       1.057200      -3.668500    
 H   -1.864600     -2.6200000E-02  -4.727500    
 H    5.732700       5.002100       1.521900    
 H    5.533300       6.049400      9.6000001E-02
 H    6.554300       4.596000     -1.1800000E-02


%chk=000149558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149558

0 1
S -4.971824 3.243075 -0.075311
O -2.483824 -1.722023 -2.564067
O -3.474543 3.600542 -0.637823
O -6.303765 3.580789 -0.977294
O 3.038830 4.766387 -0.031366
N -0.332007 -1.536980 -1.088273
N 3.674474 -1.867640 0.460541
N -4.987275 1.170278 0.638964
N 4.307292 2.895761 0.622151
C 0.976146 -1.604581 -0.543813
C 1.759742 -0.439750 -0.276970
C 1.550676 -2.900869 -0.331493
C 3.107111 -0.634932 0.257009
C 2.924209 -2.972941 0.155690
C -1.441853 -0.831036 -0.621943
C 1.337889 0.906206 -0.560339
C 3.910161 0.512533 0.553790
C 0.831438 -4.126996 -0.550520
C 3.449032 1.808610 0.303009
C 2.142604 2.003795 -0.282622
C -2.639339 -0.921091 -1.417546
C 3.526828 -4.265934 0.346598
C -1.486097 -0.085311 0.587329
C -3.846691 0.495526 0.180552
C -3.810282 -0.261390 -1.038866
C 1.446545 -5.361381 -0.349786
C -2.662251 0.570611 0.973454
C 2.811344 -5.432025 0.092032
C 4.095855 4.270945 0.454420
C -5.175727 4.155345 1.588192
C -3.625328 -1.837890 -3.476728
C 5.261999 5.148183 0.905769
H -0.545174 -2.163129 -1.872318
H 0.359366 1.080616 -1.015718
H 4.907049 0.319410 0.966281
H -0.221698 -4.092611 -0.850967
H 1.810416 3.019426 -0.503970
H 4.561482 -4.283857 0.702198
H -0.596842 -0.031069 1.220240
H -4.706818 -0.303450 -1.666589
H 0.883859 -6.286512 -0.515417
H -2.700180 1.139601 1.907061
H 3.280323 -6.410680 0.241622
H -5.831903 0.910235 0.083209
H 5.207848 2.628421 1.026222
H -4.317760 3.861360 2.206441
H -5.173945 5.227271 1.345545
H -6.131026 3.819507 2.012281
H -3.911054 -0.845849 -3.873521
H -4.491006 -2.305252 -2.969774
H -3.278689 -2.483012 -4.296692
H 4.891868 5.880953 1.642894
H 5.635094 5.719898 0.038343
H 6.103321 4.588805 1.350590


