%chk=000070551.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070551

0 1
 S  -0.4916000      -1.308500      5.2700002E-02
 O  -0.5248000      -2.333700     -0.9739000    
 O  -0.7820000      -1.641800       1.435000    
 N   -1.457900      6.3000000E-03 -0.4263000    
 N   -2.858700     -0.2991000     -0.5971000    
 N   -5.023800      0.7234000     -0.1385000    
 C   -1.424400       1.242300      0.4307000    
 C    1.110100     -0.5623000      7.1000000E-03
 C   -2.887400       1.590000      0.5531000    
 C   -3.666900      0.6752000     -5.8200002E-02
 C    1.865600     -0.5116000       1.165800    
 C    1.579400     -4.2700000E-02  -1.186900    
 C    3.618600      0.6057000     -6.4999998E-02
 C    3.129700      7.7100001E-02   1.129400    
 C    2.843600      0.5459000      -1.223200    
 C    4.970600       1.233900     -0.1045000    
 H  -0.8703000       2.032100     -8.3200000E-02
 H  -0.9970000       1.057900       1.419700    
 H   -3.183800     -0.9823000      -1.266100    
 H   -3.248200       2.472500       1.062500    
 H    1.509300     -0.9177000       2.107000    
 H   0.9863000     -8.5299999E-02  -2.095500    
 H    3.725200      0.1156000       2.037800    
 H    3.214500      0.9522000      -2.160500    
 H   -5.517000     -1.1300000E-02 -0.6293000    
 H   -5.532500       1.488500      0.2861000    
 H    5.224400       1.686500      0.8602000    
 H    5.727300      0.4819000     -0.3489000    
 H    5.013800       2.031900     -0.8536000    


%chk=000070551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070551

0 1
S 0.518376 1.760571 0.962454
O -0.640250 1.024959 -0.302341
O 0.283530 1.026642 2.416178
N -4.094251 2.560825 -0.083544
N -3.177648 1.637817 -0.007002
N -2.814910 -0.674138 0.564436
C -5.396995 1.938732 0.355044
C 2.008830 0.842983 0.255627
C -5.070723 0.511759 0.688494
C -3.713041 0.355718 0.461183
C 2.708794 -0.006571 1.126134
C 2.402845 1.042297 -1.081020
C 4.288364 -0.503714 -0.701513
C 3.851031 -0.679616 0.636558
C 3.546132 0.361685 -1.551409
C 5.520509 -1.221679 -1.222975
H -6.118808 2.075666 -0.475697
H -5.771892 2.543996 1.205541
H -1.554677 1.536786 -0.258316
H -5.782054 -0.230884 1.043052
H 2.344793 -0.138211 2.152256
H 1.820247 1.686780 -1.747010
H 4.408643 -1.348568 1.302443
H 3.863355 0.499087 -2.592208
H -1.825043 -0.475895 0.356578
H -3.093087 -1.578649 0.931487
H 5.957906 -1.884847 -0.457544
H 5.280102 -1.838872 -2.108677
H 6.302025 -0.502058 -1.531807


