%chk=000094777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094777

0 1
 O    4.971600     -0.2257000      0.4075000    
 O   -2.432000      -1.860500     -0.7481000    
 O   -1.113000       1.893600     -0.3169000    
 N  -0.5687000     -0.3330000      0.1844000    
 C   0.8465000     -0.3058000      0.2409000    
 C   -2.867500      0.3909000     -4.3499999E-02
 C    3.612100     -0.2524000      0.3515000    
 C    1.509100      0.8882000      1.4000000E-02
 C    1.534500      -1.473800      0.5218000    
 C   -1.450000      0.7232000     -8.0799997E-02
 C    2.902600      0.9150000      6.9700003E-02
 C    2.928000      -1.446800      0.5776000    
 C   -3.312100     -0.8883000     -0.3774000    
 C   -3.784800       1.372100      0.3327000    
 C    5.636900      0.7300000     -0.4169000    
 C   -4.674200      -1.186200     -0.3353000    
 C   -5.146800       1.074100      0.3747000    
 C   -5.591600     -0.2049000      4.0700000E-02
 C    6.999300      0.1902000     -0.7967000    
 H  -0.9714000      -1.244000      0.3904000    
 H    1.033000       1.832600     -0.2025000    
 H    1.011400      -2.409200      0.6991000    
 H    3.396100       1.870200     -8.4200002E-02
 H    3.475300      -2.359300      0.7976000    
 H   -3.460900       2.373900      0.6029000    
 H    5.087400      0.9193000      -1.347500    
 H    5.751500       1.667100      0.1390000    
 H   -5.035000      -2.178400     -0.5929000    
 H   -5.861100       1.837500      0.6689000    
 H   -6.652100     -0.4369000      7.3799998E-02
 H    7.543100      0.9039000      -1.422000    
 H    7.594100     -1.9400001E-02  9.8499998E-02
 H    6.901800     -0.7547000      -1.341700    
 H   -2.923200      -2.677700     -0.9400000    


%chk=000094777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094777

0 1
O 5.053569 -0.471195 -0.247747
O -2.629146 -2.101161 0.084159
O -1.166180 1.924078 -0.039264
N -0.604160 -0.354889 -0.029429
C 0.814338 -0.285857 -0.086553
C -2.975097 0.316971 0.057009
C 3.655830 -0.334217 -0.195812
C 1.550093 0.926690 -0.128697
C 1.523267 -1.521859 -0.100397
C -1.509420 0.696007 -0.007705
C 2.961062 0.899755 -0.182685
C 2.924816 -1.548421 -0.154339
C -3.519042 -0.998260 0.101208
C -3.895240 1.398388 0.074995
C 5.859735 0.763129 -0.287123
C -4.913629 -1.219154 0.161158
C -5.287000 1.195400 0.134346
C -5.799820 -0.122273 0.177810
C 7.323862 0.333955 -0.336677
H -1.018758 -1.297355 0.002083
H 1.008439 1.873949 -0.118993
H 0.968254 -2.467874 -0.068415
H 3.500517 1.851062 -0.213729
H 3.474253 -2.494529 -0.164863
H -3.461411 2.403245 0.040595
H 5.584124 1.357225 -1.183185
H 5.648604 1.371618 0.616745
H -5.304895 -2.244764 0.194573
H -5.967045 2.052788 0.146623
H -6.879659 -0.298982 0.224238
H 7.979774 1.222982 -0.369188
H 7.584812 -0.262114 0.554434
H 7.519141 -0.278788 -1.233275
H -3.114086 -2.960749 0.117400


