%chk=000001268.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001268

0 1
 S    3.345700      -1.761000      0.5983000    
 O    6.811300       1.551600      0.3816000    
 O    5.307000       2.035800      -1.261000    
 O  -4.5899998E-02  -1.368900       1.890500    
 O  -0.7402000       1.083400      -1.625900    
 N    3.354600      0.8890000      0.2887000    
 N   0.4617000       1.094300      0.3610000    
 N  -0.1288000      -2.160900     -0.2891000    
 C    4.858500     -0.9840000     -8.1000000E-02
 C    4.740600      0.4502000      0.4704000    
 C    2.500600     -0.1640000      0.8457000    
 C    1.143700     -0.1574000      0.1608000    
 C    4.796100      -1.089600      -1.611400    
 C    6.098500      -1.699900      0.4546000    
 C    5.616600       1.428600     -0.2468000    
 C   0.2544000      -1.268900      0.7026000    
 C  -0.4363000       1.617700     -0.5624000    
 C  -0.9390000      -3.325700     -1.9600000E-02
 C   -1.010400       2.942000     -9.6799999E-02
 C   -2.406000      -3.030400     -0.1428000    
 C   -2.508300       2.922200      5.6000002E-02
 C   -3.125700      -2.595100      0.9701000    
 C   -3.049200      -3.190800      -1.370200    
 C   -3.323900       3.264000      -1.022800    
 C   -3.080500       2.561700       1.276000    
 C   -4.488400      -2.320500      0.8556000    
 C   -4.412000      -2.916100      -1.484500    
 C   -4.711500       3.245500     -0.8816000    
 C   -4.468100       2.543200       1.417100    
 C   -5.131600      -2.480900     -0.3716000    
 C   -5.283600       2.885100      0.3383000    
 H    4.979400      0.4955000       1.543200    
 H    2.398300     -1.6700000E-02   1.928000    
 H    3.184800       1.771200      0.7699000    
 H    1.278600     -0.2853000     -0.9219000    
 H    5.690000     -0.6523000      -2.070700    
 H    3.926100     -0.5736000      -2.033500    
 H    4.754100      -2.135800      -1.938000    
 H    6.152900      -1.659900       1.548600    
 H    7.013600      -1.239700      6.5399997E-02
 H    6.114500      -2.754600      0.1561000    
 H   0.5968000       1.568600       1.249000    
 H   0.1509000      -1.998400      -1.251700    
 H    7.401900       2.187500     -7.5400002E-02
 H  -0.7093000      -3.707900      0.9822000    
 H  -0.6427000      -4.104600     -0.7314000    
 H  -0.5535000       3.268100      0.8456000    
 H  -0.7187000       3.700300     -0.8349000    
 H   -2.639100      -2.468200       1.933200    
 H   -2.499100      -3.527100      -2.245000    
 H   -2.890400       3.544700      -1.979000    
 H   -2.455300       2.290500       2.122700    
 H   -5.048700      -1.981400       1.722000    
 H   -4.912800      -3.040100      -2.440300    
 H   -5.346500       3.510900      -1.721800    
 H   -4.913700       2.261200       2.366500    
 H   -6.192500      -2.266400     -0.4608000    
 H   -6.363900       2.869900      0.4480000    


%chk=000001268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001268

0 1
S 3.555081 -1.821094 0.143585
O 5.634620 2.356838 1.763904
O 4.307063 2.941059 -0.050543
O 0.196377 -2.644797 0.885922
O -0.680976 0.007710 -2.720594
N 2.627338 0.767526 0.465659
N 0.035991 0.403714 -0.550694
N -0.603479 -2.494052 -1.310593
C 4.850419 -0.410848 0.384530
C 3.974539 0.756773 1.047175
C 2.066704 -0.564680 0.490200
C 0.952602 -0.761450 -0.546182
C 5.419648 -0.009088 -0.992660
C 5.951660 -0.897691 1.345076
C 4.611632 2.120921 0.843486
C 0.155225 -2.069806 -0.246322
C -0.714984 0.719392 -1.659418
C -1.539913 -3.629935 -1.197194
C -1.573818 1.994183 -1.578919
C -2.983423 -3.184620 -0.968854
C -1.941781 2.451005 -0.175621
C -3.337752 -2.513291 0.231487
C -3.983965 -3.423858 -1.941775
C -2.988389 1.802299 0.533375
C -1.243106 3.509888 0.459301
C -4.666470 -2.087850 0.447741
C -5.316400 -2.999457 -1.726509
C -3.329976 2.207497 1.841981
C -1.583445 3.916867 1.770663
C -5.661080 -2.328834 -0.531241
C -2.628754 3.266962 2.465485
H 3.916498 0.539001 2.128868
H 1.725052 -0.854095 1.496379
H 2.607466 1.234473 -0.452937
H 1.384247 -0.835655 -1.562640
H 6.239680 0.728457 -0.886150
H 4.642536 0.425381 -1.646112
H 5.826614 -0.897242 -1.504877
H 5.519052 -1.256330 2.294899
H 6.657889 -0.075948 1.567564
H 6.521465 -1.730094 0.896184
H -0.056527 0.963443 0.302069
H -0.654319 -1.867859 -2.132644
H 6.048345 3.244128 1.578855
H -1.185558 -4.241305 -0.347901
H -1.468049 -4.237822 -2.117207
H -1.017294 2.785937 -2.116430
H -2.474358 1.781605 -2.180996
H -2.569351 -2.338312 0.994044
H -3.721032 -3.941547 -2.872933
H -3.534506 0.978007 0.057293
H -0.434877 4.023676 -0.076001
H -4.930917 -1.581549 1.383766
H -6.080666 -3.191173 -2.488169
H -4.142422 1.700488 2.374667
H -1.036044 4.738938 2.244986
H -6.693156 -2.001692 -0.361478
H -2.895354 3.582405 3.480248


