%chk=000152620.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152620

0 1
 S    3.043400      -1.980000      -1.153600    
 O    1.891500     -0.4138000       1.666500    
 O  -0.3999000       2.537800      -1.565700    
 N    1.061000      0.5971000     -0.2501000    
 N   -1.232800       3.185800      0.4750000    
 C  -0.2100000       1.001100      0.3045000    
 C   -1.262100     -7.3600002E-02  0.1595000    
 C    3.275300     -0.3771000     -0.3166000    
 C    2.017200     -8.5500002E-02  0.4883000    
 C  -0.6225000       2.294200     -0.3818000    
 C   -2.258600     -0.1804000       1.115900    
 C   -1.210400     -0.9310000     -0.9274000    
 C    4.511600     -0.4361000      0.5712000    
 C   -3.230100      -1.172300      0.9820000    
 C   -2.182000      -1.922800      -1.061300    
 C   -3.191800      -2.043400     -0.1065000    
 H  -4.3200001E-02   1.196200       1.372000    
 H    1.248000      0.8035000      -1.227800    
 H    3.419000      0.3961000      -1.079000    
 H   -2.297700      0.4931000       1.967100    
 H  -0.4483000     -0.8506000      -1.696300    
 H    4.645200      0.5157000       1.098000    
 H    4.436200      -1.218000       1.335900    
 H    5.417200     -0.6173000     -1.8200001E-02
 H   -4.016600      -1.265900       1.725100    
 H   -2.155000      -2.598700      -1.911000    
 H   -3.948800      -2.815100     -0.2114000    
 H   -1.405900       2.973800       1.452400    
 H   -1.544700       4.093200      0.1453000    
 H    2.005400      -1.607300      -1.916900    


%chk=000152620-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152620

0 1
S 3.167064 -2.091049 -1.126826
O 1.703577 -0.474333 1.660551
O 0.232034 2.869173 -1.486285
N 1.190988 0.717714 -0.263986
N -1.711861 2.976873 -0.216782
C -0.116078 1.145170 0.244805
C -1.190903 0.050302 0.174486
C 3.359181 -0.431009 -0.176261
C 2.027892 -0.074304 0.500897
C -0.513317 2.406371 -0.568937
C -1.668216 -0.549717 1.363918
C -1.703732 -0.380758 -1.075993
C 4.488082 -0.627109 0.843935
C -2.655285 -1.560313 1.308029
C -2.686139 -1.392040 -1.132879
C -3.167347 -1.982515 0.060372
H 0.003607 1.430980 1.310263
H 1.509719 1.207808 -1.110543
H 3.630779 0.329213 -0.930190
H -1.238516 -0.251619 2.326947
H -1.333577 0.074963 -2.003067
H 4.704895 0.327575 1.356025
H 4.180022 -1.359653 1.607515
H 5.410146 -0.976856 0.348699
H -3.011278 -2.026341 2.233332
H -3.077258 -1.720950 -2.102222
H -3.928476 -2.769439 0.015771
H -2.329663 2.534679 0.463049
H -2.027167 3.808680 -0.714969
H 2.061428 -1.712798 -1.874554


