%chk=000153189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153189

0 1
 S   -1.876400     -0.4330000      0.9454000    
 O    5.399500      -1.577800     -0.6328000    
 O   -6.151100      0.2158000     -0.8814000    
 N    4.676200      0.4098000      0.4086000    
 N   -4.492900     -0.4881000      0.6502000    
 C   0.5212000      0.3371000     -8.6599998E-02
 C  -0.9109000      0.3117000     -0.2577000    
 C    1.125900       1.403600      0.5786000    
 C    1.301300     -0.7054000     -0.5871000    
 C    3.291100      0.3853000      0.2429000    
 C   -1.672100      0.8178000      -1.289200    
 C   -3.315600     -7.9400003E-02  8.7600000E-02
 C    2.510700       1.427700      0.7432000    
 C    2.686300     -0.6814000     -0.4223000    
 C   -3.064600      0.5914000      -1.089100    
 C    5.615800     -0.5371000     -2.0500001E-02
 C   -5.816700     -0.3305000      0.1650000    
 C    7.021200     -0.1407000      0.3563000    
 C   -6.848800     -0.9267000       1.088900    
 H   0.5325000       2.224800      0.9741000    
 H   0.8449000      -1.543500      -1.108700    
 H   -1.256500       1.327700      -2.149500    
 H    2.968600       2.265200       1.263600    
 H    3.223400      -1.523200     -0.8365000    
 H   -3.828600      0.9120000      -1.784900    
 H    5.039900       1.221000      0.9045000    
 H   -4.384400     -0.9708000       1.539000    
 H    7.281500      0.8035000     -0.1302000    
 H    7.723800     -0.9134000      3.2299999E-02
 H    7.096400     -2.6100000E-02   1.441400    
 H   -6.741300      -2.014700       1.101800    
 H   -7.852500     -0.6687000      0.7404000    
 H   -6.714500     -0.5346000       2.100900    


%chk=000153189-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153189

0 1
S -1.884842 -1.107029 0.352094
O 5.424741 -1.810821 0.521648
O -6.115507 0.912563 -0.033876
N 4.832700 0.406866 0.021800
N -4.646376 -0.876418 0.315956
C 0.541303 0.384886 0.049214
C -0.922035 0.419428 0.048497
C 1.294008 1.566120 -0.224135
C 1.274763 -0.806101 0.317005
C 3.410656 0.346986 0.043422
C -1.797968 1.483122 -0.158201
C -3.432912 -0.178165 0.174430
C 2.696328 1.547223 -0.226273
C 2.680812 -0.840397 0.317375
C -3.196470 1.165640 -0.091175
C 5.754740 -0.618931 0.248839
C -5.928208 -0.314110 0.208395
C 7.218465 -0.194047 0.143311
C -7.074286 -1.300390 0.408077
H 0.778762 2.507529 -0.439323
H 0.735674 -1.736488 0.533368
H -1.447961 2.499016 -0.356890
H 3.246159 2.473241 -0.440700
H 3.223155 -1.764078 0.525062
H -4.007725 1.879109 -0.228628
H 5.226200 1.326642 -0.189013
H -4.592524 -1.877432 0.513563
H 7.713418 -0.806476 -0.629982
H 7.723204 -0.409276 1.100927
H 7.363147 0.872696 -0.102188
H -7.715609 -1.292322 -0.490083
H -7.696151 -0.962524 1.255132
H -6.746363 -2.336761 0.600550


