%chk=000097444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097444

0 1
 O    2.360300     -2.3000001E-03 -0.8001000    
 O   -3.783200      -1.101500      0.3309000    
 O    2.736100      2.5000000E-02   1.510200    
 N   -3.803600       1.191300      0.2936000    
 C   -1.724900     -2.7500000E-02 -6.5899998E-02
 C    1.021000     -1.0700000E-02 -0.5586000    
 C   -1.048000       1.184600     -0.2000000    
 C   -1.029100      -1.231300     -0.1782000    
 C   0.3249000       1.193000     -0.4463000    
 C   0.3439000      -1.222900     -0.4245000    
 C   -3.156400     -3.6600001E-02  0.1906000    
 C    3.152800      1.5300000E-02  0.3595000    
 C    4.606100      2.3499999E-02 -1.1300000E-02
 H   -1.522800       2.155300     -0.1245000    
 H   -1.534100      -2.188400     -7.8100003E-02
 H   0.8473000       2.140300     -0.5507000    
 H   0.8800000      -2.164100     -0.5118000    
 H    4.846000     -0.8762000     -0.5833000    
 H    5.212800      3.1199999E-02  0.8986000    
 H    4.833700      0.9213000     -0.5911000    
 H   -3.371700       2.101200      0.1978000    
 H   -4.801500       1.212200      0.4793000    


%chk=000097444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097444

0 1
O 2.408189 -0.405586 -0.187134
O -3.988543 -0.944998 -0.690398
O 3.194122 1.740965 0.397901
N -3.966899 1.100401 0.391513
C -1.818565 0.004074 -0.148437
C 1.003020 -0.162536 -0.147689
C -1.024400 1.142494 0.138016
C -1.169891 -1.221610 -0.450696
C 0.386164 1.077832 0.142721
C 0.231493 -1.309884 -0.447469
C -3.325849 0.009408 -0.176711
C 3.413405 0.554068 0.086571
C 4.765039 -0.105948 -0.061192
H -1.485585 2.117791 0.333669
H -1.793298 -2.088573 -0.690318
H 0.987730 1.960550 0.358471
H 0.745566 -2.248384 -0.674136
H 4.858857 -0.941656 0.653955
H 5.557690 0.632763 0.123747
H 4.873637 -0.529152 -1.074540
H -3.476640 1.836702 0.893380
H -4.985642 1.113978 0.364877


