%chk=000017212.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017212

0 1
 O   -2.056600     -0.1417000     -0.5226000    
 O    3.980100      -1.603000      0.3141000    
 O    4.131000      0.5867000      0.3551000    
 O  -0.2245000      -3.762600     -0.2982000    
 O   -2.066000      -2.593500     -0.5463000    
 O   -2.339500     -0.1672000       1.801000    
 N    3.457500     -0.4654000      0.2510000    
 N  -0.8265000      -2.665400     -0.3728000    
 C  -0.6363000       2.280800     -0.3004000    
 C   6.3000001E-02  0.9140000     -0.2142000    
 C   0.3364000       3.325800     -0.8884000    
 C   -1.073000       2.731000       1.110600    
 C   -1.899600       2.281600      -1.190800    
 C    1.423600      0.8780000     -2.3000000E-02
 C  -0.7067000     -0.2187000     -0.3330000    
 C    2.052200     -0.3649000      5.4000001E-02
 C  -7.7900000E-02  -1.461500     -0.2561000    
 C    2.223500       2.137600      0.1012000    
 C    1.301500      -1.534600     -6.2600002E-02
 C   -2.798900     -0.1212000      0.6675000    
 C   -4.263200     -3.5799999E-02  0.3537000    
 H  -0.2742000       4.069200      -1.429400    
 H   0.8086000       4.037100     -0.2042000    
 H   0.9522000       2.963000      -1.718700    
 H  -0.2617000       2.644800       1.841600    
 H   -1.386200       3.782400       1.094700    
 H   -1.919700       2.169600       1.503500    
 H   -2.154700       3.304800      -1.499400    
 H   -1.757500       1.720600      -2.121800    
 H   -2.814400       1.969900     -0.6892000    
 H    3.011100       2.086100      0.8554000    
 H    2.684500       2.499600     -0.8200000    
 H    1.714300       2.865900      0.7285000    
 H    1.790800      -2.504000     -2.7000001E-03
 H   -4.637000      0.9546000      0.6232000    
 H   -4.794300     -0.8085000      0.9157000    
 H   -4.444600     -0.2098000     -0.7108000    


%chk=000017212-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017212

0 1
O -2.156183 0.056633 -0.161778
O 3.868568 -1.778119 0.487228
O 4.262489 0.252929 -0.469587
O -0.368694 -3.665955 -0.755697
O -2.222775 -2.614796 0.030889
O -2.288732 -0.409949 2.144217
N 3.469887 -0.647371 0.009591
N -0.977385 -2.619036 -0.309873
C -0.606237 2.502101 -0.466623
C 0.065590 1.111616 -0.191261
C 0.385481 3.625066 -0.910367
C -1.371148 2.998674 0.796129
C -1.581608 2.372524 -1.687347
C 1.474320 0.930998 0.040736
C -0.752765 -0.067722 -0.170682
C 2.004226 -0.394445 -0.035942
C -0.178641 -1.372927 -0.194990
C 2.376176 2.050033 0.540899
C 1.211709 -1.537860 -0.174487
C -2.871824 -0.288814 1.061538
C -4.337081 -0.392540 0.752117
H -0.211691 4.443139 -1.351467
H 0.962185 4.063593 -0.083412
H 1.086580 3.272761 -1.688056
H -0.691382 3.098672 1.662320
H -1.812542 3.991906 0.592998
H -2.185784 2.316103 1.085078
H -2.054478 3.356002 -1.862331
H -1.020407 2.101651 -2.601049
H -2.376506 1.632063 -1.534904
H 3.188546 1.637333 1.158436
H 2.859453 2.614405 -0.272601
H 1.799116 2.746666 1.165234
H 1.656170 -2.533400 -0.232887
H -4.920441 -0.365180 1.683681
H -4.511138 -1.354966 0.239291
H -4.655754 0.413514 0.071157


