%chk=000132416.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132416

0 1
 S    1.124800      -1.375200       1.784300    
 S   -3.762600     -0.8779000      0.9919000    
 S    9.498400     -8.2000000E-03  0.8546000    
 O   0.6887000       2.801300      2.7300000E-02
 O   -1.352700      0.4575000      -2.717400    
 O   0.1677000      -1.207100      -2.379900    
 O    4.948900     -0.1390000       1.275600    
 N   0.5380000      0.4597000     -5.0799999E-02
 N    3.591600       1.380600      0.1656000    
 N   -6.425000     -0.9823000      0.4367000    
 N   -5.376500      -2.821100     -3.5100002E-02
 N    7.595200     -0.3822000     -0.8543000    
 N   -7.047700       2.685300      0.1825000    
 N   -7.362400      -1.807700     -4.9500000E-02
 N   -6.715200      -2.930600     -0.3368000    
 N    9.406000      -1.893400      -1.019500    
 C    1.664500     -0.3398000      0.3937000    
 C    2.334500      0.9921000      0.8022000    
 C  -0.7454000     -7.9999998E-04 -0.4960000    
 C    1.083700       1.670500      0.1910000    
 C   -1.176700      -1.228000      0.2757000    
 C  -0.4507000      -1.850400       1.228300    
 C  -0.5731000     -0.3380000      -1.944900    
 C   -2.563000      -1.727900     -4.7800001E-02
 C    4.812600      0.7712000      0.4620000    
 C    5.957700       1.370800     -0.3342000    
 C   -5.261000      -1.628600      0.4257000    
 C    7.261400      0.6885000     -6.3900001E-02
 C   -6.776100      0.3498000      0.8594000    
 C   -6.659900       1.358500     -0.2798000    
 C    8.149300       1.049100      0.9119000    
 C    8.764400     -0.8342000     -0.4584000    
 C   -8.418100       2.672100      0.6977000    
 C   -6.921300       3.665500     -0.8977000    
 H    2.151600     -0.8795000     -0.4251000    
 H    2.389700       1.177400       1.883700    
 H   -1.460100      0.8197000     -0.3705000    
 H    3.595700       2.129400     -0.5233000    
 H  -0.8746000      -2.710700       1.737800    
 H   -2.627800      -2.806900      0.1372000    
 H   -2.804800      -1.577600      -1.104900    
 H    5.717200       1.295000      -1.401500    
 H    6.031500       2.436800     -8.7700002E-02
 H   -1.253600      0.2521000      -3.671500    
 H   -7.798100      0.2631000       1.243700    
 H   -6.139800      0.6267000       1.707100    
 H   -7.276000       1.037000      -1.130800    
 H   -5.621300       1.379700     -0.6340000    
 H    8.085300       1.849500       1.635400    
 H   -9.124500       2.204200      2.2000000E-03
 H   -8.765600       3.696400      0.8812000    
 H   -8.484100       2.178900       1.672300    
 H   -5.891000       3.697800      -1.269300    
 H   -7.153200       4.672700     -0.5339000    
 H   -7.585500       3.440400      -1.740100    
 H    10.30910      -2.210800     -0.6829000    
 H    9.007000      -2.409100      -1.796900    


%chk=000132416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132416

0 1
S 0.837287 -1.992750 3.044547
S -4.025625 -2.092151 0.955640
S 6.139838 0.609380 -2.222320
O -0.953477 1.523646 0.668685
O -0.471549 -3.533535 -1.441294
O 1.048226 -1.801883 -1.671995
O 3.317022 2.417426 3.052278
N 0.114052 -0.648086 0.701226
N 2.340320 1.415376 1.171633
N -4.790098 -0.522846 -1.249058
N -3.784376 -2.425310 -1.846019
N 3.831951 1.070850 -0.974118
N -4.717744 3.029588 0.055210
N -4.765539 -0.546228 -2.662045
N -4.149578 -1.696842 -3.000010
N 3.627928 -0.569974 -2.700129
C 1.276620 -0.847480 1.567984
C 1.271242 0.719787 1.839273
C -0.708337 -1.669006 0.087170
C -0.070225 0.715615 1.005790
C -1.232837 -2.652465 1.138077
C -0.638918 -2.797313 2.361397
C 0.070508 -2.314129 -1.086534
C -2.526955 -3.342626 0.830291
C 3.308819 2.167527 1.811361
C 4.367718 2.752843 0.841005
C -4.189970 -1.671628 -0.784551
C 4.798323 1.864820 -0.315364
C -5.256243 0.676534 -0.531522
C -4.251433 1.849123 -0.694956
C 6.075470 1.769174 -0.827544
C 4.334472 0.339202 -1.961531
C -5.774862 3.791833 -0.639721
C -3.613415 3.902072 0.515320
H 2.179461 -1.248201 1.084336
H 1.193414 1.028813 2.892897
H -1.578100 -1.158907 -0.378315
H 2.550581 1.191376 0.164335
H -1.087478 -3.459908 3.110551
H -2.782328 -4.126826 1.558643
H -2.589474 -3.731418 -0.197663
H 3.934953 3.692722 0.440359
H 5.239805 3.036793 1.450283
H -0.035798 -3.896155 -2.259353
H -6.249664 0.943818 -0.927335
H -5.359808 0.429560 0.537920
H -4.114744 2.049028 -1.786044
H -3.271615 1.540393 -0.288907
H 6.982313 2.282992 -0.518270
H -5.418322 4.262574 -1.590461
H -6.144549 4.594708 0.022566
H -6.632638 3.140732 -0.884537
H -2.855274 3.301718 1.044166
H -4.013038 4.660454 1.212731
H -3.101032 4.438733 -0.321195
H 4.062846 -1.073051 -3.467998
H 2.678973 -0.828193 -2.408587


