%chk=000227024.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227024

0 1
 S  -0.9141000      -3.059300      0.9103000    
 S    4.158400       1.721000      -1.987300    
 O   -1.667300      -4.265900      0.6272000    
 O  -0.4261000      -2.795600       2.250400    
 O   -3.502100       3.309400      0.5799000    
 N   0.3868000      -2.937000     -0.1867000    
 N    1.095700      -1.670200     -0.1832000    
 N   -4.299800       1.523600     -0.7365000    
 C    3.035100      0.6034000      5.5900000E-02
 C    2.805100     -0.2508000      -1.074500    
 C    3.773900       1.734000     -0.3065000    
 C    2.079200      -1.496100      -1.049400    
 C   -1.924000      -1.693000      0.4196000    
 C    3.357600      0.2368000      -2.234800    
 C    2.640300      0.4672000       1.408700    
 C    4.123700       2.719100      0.6378000    
 C   -1.721200     -0.4579000       1.009600    
 C   -2.897300      -1.885200     -0.5449000    
 C   -3.503400      0.4452000     -0.3489000    
 C   -2.517500      0.6198000      0.6222000    
 C   -3.693300     -0.8074000     -0.9325000    
 C    2.451600      -2.613300      -2.038700    
 C    2.985300       1.442800       2.347900    
 C    3.719700       2.555800       1.964300    
 C   -4.256900       2.843200     -0.2673000    
 C   -5.289500       3.710300     -0.9427000    
 H    3.328400     -0.1900000      -3.227900    
 H    2.076000     -0.3952000       1.751500    
 H    4.698200       3.593900      0.3466000    
 H  -0.9547000     -0.3018000       1.762600    
 H   -3.055100      -2.850100      -1.016800    
 H   0.3148000      -3.435600      -1.081200    
 H   -2.310400       1.558300       1.117300    
 H   -4.456700     -0.9575000      -1.691700    
 H    2.489300      -3.578200      -1.525200    
 H    3.437000      -2.445000      -2.480200    
 H    1.702900      -2.650200      -2.835100    
 H    2.678700       1.325800       3.383500    
 H    3.984100       3.308800       2.701800    
 H   -4.995800       1.315100      -1.449400    
 H   -5.091300       3.751600      -2.017300    
 H   -5.247300       4.723800     -0.5340000    
 H   -6.288700       3.300300     -0.7705000    


%chk=000227024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227024

0 1
S -0.801093 -2.909597 0.932628
S 4.776122 1.608436 -1.807678
O -1.543191 -4.313144 0.579384
O -0.129286 -2.568311 2.361929
O -3.615056 3.525214 0.227491
N 0.583661 -2.903737 -0.314137
N 1.362448 -1.795697 -0.304669
N -4.594742 1.576135 -0.645636
C 3.203662 0.491787 0.078838
C 3.127274 -0.391093 -1.098270
C 4.052288 1.623282 -0.140888
C 2.321556 -1.620516 -1.205113
C -1.944895 -1.496426 0.454501
C 3.910984 0.073426 -2.147829
C 2.597989 0.353785 1.360798
C 4.294888 2.600079 0.844957
C -1.618029 -0.187156 0.845921
C -3.102776 -1.817670 -0.275160
C -3.669416 0.575294 -0.254189
C -2.486594 0.862967 0.485290
C -3.969115 -0.767552 -0.625443
C 2.575586 -2.643695 -2.299870
C 2.837287 1.322571 2.353707
C 3.672722 2.443923 2.101119
C -4.549081 2.960388 -0.406198
C -5.738477 3.719778 -0.990660
H 4.029625 -0.360409 -3.139092
H 1.960705 -0.510807 1.560016
H 4.949582 3.454731 0.646408
H -0.711490 0.015043 1.423800
H -3.323788 -2.857869 -0.534693
H 0.378371 -3.515078 -1.120979
H -2.266272 1.893756 0.766001
H -4.886371 -0.990799 -1.184393
H 2.613979 -3.661524 -1.863931
H 3.532436 -2.469301 -2.812719
H 1.772272 -2.636260 -3.064525
H 2.373591 1.205523 3.339260
H 3.842758 3.188944 2.885956
H -5.407290 1.241507 -1.169881
H -5.768506 3.628923 -2.092416
H -5.638349 4.782317 -0.728129
H -6.696668 3.342733 -0.587608


