%chk=000172285.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172285

0 1
 S   -2.620800       1.952200     -0.8365000    
 S   -2.941700     -6.6999998E-03  -1.348800    
 O   -1.161800       2.203200       3.525600    
 O    3.034900       2.539600      0.8357000    
 N    1.376800       1.799400     -0.6481000    
 N   0.9367000      -2.694100     -0.3934000    
 N    2.775600      -2.119200       1.054100    
 N   0.1973000      -1.166600      -2.050100    
 C    2.185600      0.7738000      -1.290700    
 C   8.1400000E-02   1.964500      -1.074800    
 C  -0.9711000       1.807500     -0.2368000    
 C    2.031300     -0.5628000     -0.6246000    
 C  -0.8276000       1.458000       1.235600    
 C  -2.3300000E-02   2.309900      -2.535900    
 C    1.078300      -1.491800     -0.9892000    
 C   -1.361800       2.549300       2.161800    
 C    2.860700     -0.9346000      0.4138000    
 C    1.902600       2.586700      0.3669000    
 C    1.805700      -2.938800      0.6060000    
 C    1.680300      -4.258200       1.289200    
 C   -3.619500     -0.6857000      0.1852000    
 C   -4.363100      -1.951700     -9.5700003E-02
 C   -4.056300      -3.133800      0.4509000    
 H    3.239600       1.075400      -1.216100    
 H    2.001300      0.7246000      -2.368300    
 H   0.1970000       1.212400       1.529200    
 H   -1.360600      0.5290000       1.455300    
 H   0.8885000       2.801000      -2.897000    
 H  -0.1957000       1.420500      -3.147700    
 H  -0.8300000       3.023600      -2.732300    
 H  -0.8520000       3.500400       1.976500    
 H   -2.436100       2.702400       2.018600    
 H    3.645400     -0.2800000      0.7791000    
 H    1.190700       3.349100      0.7233000    
 H  -0.5100000      -1.862000      -2.259000    
 H   0.5685000     -0.6579000      -2.841600    
 H   0.6268000      -4.503200       1.456400    
 H    2.129600      -5.039900      0.6695000    
 H    2.185400      -4.249600       2.260100    
 H   -1.515300       2.933900       4.061000    
 H   -2.809000     -0.8740000      0.8924000    
 H   -4.317400      2.7400000E-02  0.6366000    
 H   -5.221200      -1.899600     -0.7620000    
 H   -3.220700      -3.244700       1.133000    
 H   -4.643800      -4.015300      0.2182000    


%chk=000172285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172285

0 1
S -2.822334 2.391525 -0.448820
S -3.402192 0.428770 -1.540236
O -0.930019 2.502564 3.738270
O 3.202736 2.334744 0.489152
N 1.265209 1.754451 -0.701873
N 0.778317 -2.824020 -0.070681
N 2.937454 -2.304509 0.920068
N -0.333662 -1.370566 -1.509376
C 1.971246 0.610450 -1.369194
C -0.114528 2.022680 -1.009191
C -1.064286 2.045890 -0.009389
C 1.874277 -0.698375 -0.605157
C -0.830068 1.758334 1.461122
C -0.425284 2.248853 -2.479294
C 0.774807 -1.615427 -0.726856
C -1.041940 2.991331 2.358733
C 2.917484 -1.110500 0.248143
C 1.994824 2.538825 0.194382
C 1.855121 -3.122721 0.715537
C 1.842164 -4.457494 1.418416
C -3.635612 -0.737290 -0.022493
C -4.044286 -2.087981 -0.544091
C -3.291074 -3.213545 -0.412815
H 3.032838 0.903399 -1.444853
H 1.563919 0.505462 -2.390941
H 0.183273 1.355545 1.633518
H -1.551025 0.991871 1.801856
H 0.476359 2.582896 -3.019208
H -0.823571 1.348254 -2.987237
H -1.212063 3.015755 -2.578193
H -0.274869 3.765771 2.140307
H -2.047476 3.425793 2.168034
H 3.780080 -0.451921 0.405136
H 1.402860 3.389516 0.593603
H -1.052009 -2.095117 -1.536616
H -0.598890 -0.439092 -1.820945
H 0.968577 -4.531688 2.090937
H 1.754921 -5.278787 0.684749
H 2.765596 -4.579903 2.002888
H -1.004998 3.260901 4.369967
H -2.679773 -0.778514 0.521253
H -4.415475 -0.270304 0.599941
H -5.019843 -2.140788 -1.048138
H -2.317504 -3.213257 0.095715
H -3.648081 -4.178184 -0.790730


