%chk=000112858.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112858

0 1
 S    3.406600       1.864300       1.134000    
 O   -6.389600      -1.982400      0.4645000    
 O    2.085200       1.670400       1.710300    
 O    4.477400       2.424700       1.944300    
 O   -8.314500     -0.8149000     -5.4299999E-02
 O    7.531900      -2.467900     -0.7636000    
 O    7.957600     -0.4757000      5.4400001E-02
 N   -4.321500      0.9446000     -0.3436000    
 N    1.189500      8.3899997E-02 -0.8265000    
 N    1.636300     -0.4342000      0.2238000    
 N    7.148600      -1.368200     -0.2965000    
 C   -5.132800      6.4400002E-02  0.4738000    
 C   -4.957100       2.041800      -1.045400    
 C   -2.933100      0.7279000     -0.4650000    
 C   -5.625200      -1.108600     -0.3567000    
 C   -2.162800       1.572100      -1.264700    
 C   -2.330400     -0.3308000      0.2144000    
 C   -4.759500       3.336000     -0.2796000    
 C    3.937600      0.3271000      0.4859000    
 C  -0.1871000      0.2989000     -0.7058000    
 C  -0.7899000       1.357700      -1.385100    
 C  -0.9574000     -0.5453000      9.3900003E-02
 C    3.019600     -0.6504000      0.1020000    
 C    5.305600      8.9400001E-02  0.3544000    
 C    5.755800      -1.126100     -0.1613000    
 C    3.469800      -1.865800     -0.4137000    
 C    3.235300       2.905700     -0.2962000    
 C    4.837800      -2.103600     -0.5454000    
 C   -7.730100      -1.719900      0.5259000    
 C   -8.403600      -2.715000       1.421700    
 H   -6.008900      0.6190000      0.8381000    
 H   -4.652600     -0.2549000       1.405500    
 H   -6.036900       1.856600      -1.118400    
 H   -4.627000       2.127500      -2.086700    
 H   -6.192900     -0.7794000      -1.236100    
 H   -4.782600      -1.692700     -0.7421000    
 H   -2.568700       2.409300      -1.821200    
 H   -2.873500      -1.035200      0.8340000    
 H   -5.274500       4.156000     -0.7905000    
 H   -3.707500       3.616400     -0.1784000    
 H   -5.175900       3.258600      0.7309000    
 H  -0.1962000       2.019900      -2.010100    
 H  -0.5316000      -1.396300      0.6200000    
 H    6.011900      0.8615000      0.6480000    
 H    2.762600      -2.634300     -0.7152000    
 H    2.494600       2.481000     -0.9736000    
 H    4.205200       2.992000     -0.7897000    
 H    2.903800       3.890000      4.1900001E-02
 H    5.152000      -3.061900     -0.9511000    
 H   -7.991400      -2.642900       2.431300    
 H   -9.474400      -2.496700       1.466200    
 H   -8.270000      -3.723300       1.022000    


%chk=000112858-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112858

0 1
S 3.603588 2.189551 0.115040
O -6.675670 -2.071255 0.050160
O 2.375976 2.439991 1.161455
O 5.018514 2.978918 0.368580
O -8.351470 -0.479406 -0.269877
O 7.964137 -2.528428 0.235496
O 8.250907 -0.261989 0.175173
N -4.350000 0.924423 -0.039319
N 1.268343 0.332228 -0.443464
N 1.816943 -0.797460 -0.032940
N 7.507224 -1.318138 0.182498
C -5.229086 -0.108064 0.540664
C -5.023622 2.174295 -0.475368
C -2.973375 0.755653 -0.131643
C -5.699164 -1.116758 -0.535003
C -2.121149 1.816464 -0.595537
C -2.347248 -0.492112 0.232273
C -5.040305 3.267556 0.616442
C 4.121016 0.318448 0.015298
C -0.129875 0.398724 -0.325973
C -0.740514 1.633422 -0.693186
C -0.967110 -0.661096 0.146144
C 3.227840 -0.800506 -0.017797
C 5.508716 0.166947 0.099351
C 6.041972 -1.139983 0.121112
C 3.820323 -2.100893 0.044958
C 3.081346 2.658995 -1.661380
C 5.207209 -2.281961 0.098639
C -8.007397 -1.618391 0.118722
C -8.898113 -2.688674 0.702388
H -6.117905 0.391862 0.962188
H -4.727178 -0.635374 1.369336
H -6.060956 1.910578 -0.750753
H -4.540256 2.548000 -1.395466
H -6.170089 -0.581368 -1.378578
H -4.874624 -1.749998 -0.896859
H -2.540932 2.791410 -0.853241
H -2.955238 -1.333001 0.577431
H -5.566328 4.165839 0.245845
H -4.018210 3.560470 0.912085
H -5.567976 2.913818 1.520138
H -0.095590 2.455949 -1.016620
H -0.499414 -1.608741 0.429409
H 6.159402 1.047849 0.167570
H 3.136341 -2.954806 0.045493
H 2.247200 1.994188 -1.914537
H 3.974932 2.509054 -2.282707
H 2.800316 3.720028 -1.596023
H 5.659211 -3.276270 0.132080
H -8.545522 -2.971284 1.709336
H -9.932500 -2.321405 0.759057
H -8.859143 -3.597001 0.076609


