%chk=000152887.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152887

0 1
 S    4.125000     -3.0000001E-04 -0.8398000    
 O   0.7419000       1.589900     -0.5993000    
 O   0.7414000      -1.589900     -0.5994000    
 O   -2.188000       2.213600       1.321200    
 O   -2.188500      -2.213800       1.321300    
 N   -1.921200       1.467600     -0.8465000    
 N   -1.921700      -1.467300     -0.8462000    
 C   -3.906500      6.9999998E-04 -0.5414000    
 C   -3.330500       1.284800      -1.144200    
 C   -3.330900      -1.284100      -1.143800    
 C    2.050600       1.706100     -0.2371000    
 C    2.050100      -1.706300     -0.2375000    
 C  -1.3500000E-02   1.937600      0.4851000    
 C  -1.3900000E-02  -1.937800      0.4849000    
 C    3.050800       1.400000      -1.283100    
 C    3.050100      -1.399800      -1.283600    
 C   -1.452800       1.900800      0.3868000    
 C   -1.453200      -1.900700      0.3869000    
 C    2.141800       2.131800       1.071100    
 C    2.141500      -2.132300       1.070400    
 C   0.8138000       2.275100       1.537400    
 C   0.8135000      -2.275700       1.536900    
 H   -3.760000      7.9999998E-04  0.5452000    
 H   -4.989300      6.9999998E-04 -0.7154000    
 H   -3.439300       1.284700      -2.233600    
 H   -3.874900       2.148800     -0.7476000    
 H   -3.875500      -2.147800     -0.7466000    
 H   -3.439900      -1.284400      -2.233100    
 H   -1.253700       1.225800      -1.573600    
 H   -1.254200      -1.225500      -1.573300    
 H    2.576900       1.207700      -2.251300    
 H    3.696100       2.274900      -1.418200    
 H    3.695100      -2.274900      -1.419300    
 H    2.576100      -1.206700      -2.251500    
 H    3.053400       2.318300       1.620600    
 H    3.053100      -2.319100       1.619800    
 H   0.4980000       2.590700       2.521800    
 H   0.4978000      -2.591700       2.521200    


%chk=000152887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000152887

0 1
S 4.213632 -0.000316 -0.629815
O 0.770323 1.728606 -0.609876
O 0.769894 -1.728609 -0.610185
O -2.284671 2.608530 1.212810
O -2.285145 -2.608367 1.212498
N -1.964224 1.569876 -0.861301
N -1.964615 -1.569476 -0.861485
C -3.913085 0.000410 -0.441134
C -3.396415 1.311989 -1.083504
C -3.396761 -1.311264 -1.083585
C 2.115427 1.967622 -0.242975
C 2.114983 -1.967835 -0.243370
C -0.039776 2.266528 0.425022
C -0.040229 -2.266578 0.424671
C 3.162643 1.505115 -1.190351
C 3.162208 -1.505296 -1.190726
C -1.511060 2.166974 0.303710
C -1.511501 -2.166758 0.303451
C 2.139189 2.629897 0.980561
C 2.138715 -2.630301 0.980063
C 0.775295 2.816349 1.404278
C 0.774815 -2.816659 1.403803
H -3.668871 0.000348 0.635930
H -5.019252 0.000558 -0.518062
H -3.583689 1.309880 -2.174813
H -3.950775 2.159755 -0.642623
H -3.951280 -2.158921 -0.642694
H -3.584111 -1.309075 -2.174881
H -1.268432 1.241718 -1.532694
H -1.268793 -1.241341 -1.532858
H 2.727074 1.261554 -2.173157
H 3.934136 2.279922 -1.332307
H 3.933485 -2.280254 -1.333038
H 2.726572 -1.261304 -2.173395
H 3.036004 2.933792 1.516615
H 3.035516 -2.934375 1.516039
H 0.416387 3.294325 2.312552
H 0.415888 -3.294722 2.312023


