%chk=000063155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063155

0 1
 S   -2.872600     -0.6435000       1.134800    
 O    1.358000       2.105400       1.803800    
 N   0.9619000     -3.1199999E-02  0.9340000    
 N    2.456700     -0.9403000     -0.6873000    
 N   -1.522600       1.448800      0.4626000    
 C  -0.2301000     -0.2026000       1.767700    
 C    1.380500      -1.021500      3.2499999E-02
 C    1.677100       1.168100       1.077400    
 C    2.908500       1.270600      0.2659000    
 C    3.249200      0.2091000     -0.5760000    
 C   -1.470100      0.3118000       1.086000    
 C   0.5565000      -2.235100     -0.1200000    
 C    3.718900       2.408800      0.3462000    
 C   -3.689600      0.5688000      0.2206000    
 C   -2.802300       1.615700     -4.6500001E-02
 C    4.418000      0.3012000      -1.340700    
 C   0.7994000      -3.340600      0.6883000    
 C  -0.4584000      -2.262900      -1.070500    
 C    4.880000       2.486400     -0.4215000    
 C    5.229900       1.433800      -1.264000    
 C   -5.019900      0.5917000     -0.2281000    
 C   -3.265300       2.723600     -0.7890000    
 C   1.8300001E-02  -4.487200      0.5444000    
 C   -1.239500      -3.409700      -1.214300    
 C   -5.452700       1.699700     -0.9608000    
 C   -4.588500       2.752900      -1.238700    
 C   -1.001200      -4.521800     -0.4069000    
 H  -0.1008000      0.3661000       2.697200    
 H  -0.3326000      -1.249200       2.067700    
 H    3.464400       3.239700      0.9983000    
 H    4.703000     -0.5118000      -2.004400    
 H    1.591000      -3.322700       1.432600    
 H  -0.6509000      -1.402200      -1.705500    
 H    5.512200       3.367600     -0.3622000    
 H    6.134300       1.494400      -1.862300    
 H   -5.700300     -0.2271000     -1.4900000E-02
 H   -2.598500       3.551800      -1.011800    
 H   0.2035000      -5.352900       1.173400    
 H   -2.033700      -3.436100      -1.954600    
 H   -6.478600       1.737300      -1.317500    
 H   -4.942800       3.606600      -1.810100    
 H   -1.609700      -5.414300     -0.5185000    


%chk=000063155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063155

0 1
S -2.667433 1.424060 2.172565
O 0.825742 1.949448 1.794132
N 0.794227 -0.176804 0.816849
N 2.632617 -1.018901 -0.488456
N -2.028364 0.411435 -0.234093
C -0.470354 -0.382020 1.571586
C 1.416743 -1.174253 0.026909
C 1.412640 1.098401 1.059795
C 2.731951 1.275873 0.441077
C 3.311166 0.192025 -0.291658
C -1.634373 0.411002 1.021151
C 0.728266 -2.472974 -0.246511
C 3.439481 2.495934 0.599781
C -3.694519 1.834005 0.741438
C -3.173725 1.207209 -0.439489
C 4.608822 0.351467 -0.855466
C 1.489674 -3.665616 -0.123445
C -0.613692 -2.546145 -0.708117
C 4.716986 2.639962 0.035322
C 5.300731 1.561952 -0.691578
C -4.841194 2.651315 0.693844
C -3.816154 1.407443 -1.684065
C 0.909154 -4.915865 -0.420393
C -1.184361 -3.800722 -1.016788
C -5.470453 2.839035 -0.556806
C -4.962342 2.223499 -1.733736
C -0.432232 -4.988386 -0.865419
H -0.291496 -0.069198 2.614497
H -0.710369 -1.457561 1.558321
H 2.965254 3.301675 1.169425
H 5.033213 -0.486723 -1.416035
H 2.534887 -3.593146 0.192813
H -1.191918 -1.626834 -0.860329
H 5.267243 3.579409 0.152582
H 6.298143 1.681256 -1.129019
H -5.237392 3.132147 1.593158
H -3.409695 0.929350 -2.580129
H 1.502375 -5.830476 -0.312205
H -2.215397 -3.846516 -1.384426
H -6.362318 3.471843 -0.617956
H -5.469176 2.388978 -2.690211
H -0.881754 -5.959383 -1.101615


