%chk=000095762.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095762

0 1
 S   0.7689000      0.3755000       1.566700    
 O   -2.595400      -2.777500     -2.3700001E-02
 O  -0.5448000      -1.995400      3.0999999E-02
 N   0.7727000      0.3786000      -1.012500    
 N   -1.785200      -1.822200     -3.1999999E-03
 C   -1.438500      0.6132000      2.3000001E-03
 C  -3.5000001E-03  0.4597000      4.2900000E-02
 C    2.291900      0.2144000      0.7747000    
 C    2.092300      0.2376000     -0.6089000    
 C   -2.292300     -0.4915000     -1.9700000E-02
 C   -1.972700       1.903200     -1.4400000E-02
 C    3.571100      7.7200003E-02   1.337300    
 C    3.214600      0.1192000      -1.457400    
 C   -3.674300     -0.3070000     -5.8300000E-02
 C   -3.354800       2.087800     -5.3100001E-02
 C    4.664700     -3.8100000E-02  0.4754000    
 C    4.491000     -1.7600000E-02 -0.9041000    
 C   -4.205700      0.9828000     -7.5000003E-02
 H   -1.325500       2.777200      7.9999998E-04
 H    3.714300      6.0400002E-02   2.413400    
 H    3.090400      0.1338000      -2.536500    
 H   -4.372500      -1.139900     -7.6300003E-02
 H   -3.768600       3.091900     -6.6399999E-02
 H    5.663500     -0.1452000      0.8902000    
 H    5.353300     -0.1085000      -1.558900    
 H   -5.281700       1.127100     -0.1051000    


%chk=000095762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095762

0 1
S 0.779451 -0.543534 1.488936
O -2.898899 -2.608013 1.281765
O -1.110770 -2.473302 -0.131682
N 0.866674 0.681139 -0.913202
N -2.123088 -1.958490 0.478044
C -1.453496 0.415339 -0.132495
C 0.006222 0.208258 -0.032833
C 2.380842 -0.176041 0.738648
C 2.202995 0.470725 -0.530375
C -2.457856 -0.535620 0.199038
C -1.896246 1.703816 -0.539125
C 3.664715 -0.448626 1.250701
C 3.334996 0.847029 -1.293000
C -3.831481 -0.211962 0.194197
C -3.266988 2.030271 -0.584645
C 4.781958 -0.064294 0.476253
C 4.618526 0.577119 -0.782865
C -4.239338 1.077750 -0.199044
H -1.135098 2.442696 -0.805998
H 3.801266 -0.944716 2.216048
H 3.188491 1.334603 -2.261147
H -4.555008 -0.981757 0.475623
H -3.574145 3.030549 -0.906684
H 5.789780 -0.267967 0.853554
H 5.503514 0.860689 -1.361932
H -5.303817 1.331041 -0.216578


