%chk=000015124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015124

0 1
 O    4.513500       1.401700     -0.3829000    
 N   -4.004500      0.3067000     -8.2099997E-02
 N    1.265600      -2.248400     -0.1635000    
 C   -1.815900     -0.5196000      0.7567000    
 C  -0.4538000     -0.9602000      0.3941000    
 C   0.6951000     -0.1323000      0.2534000    
 C   -2.674500     -0.1526000     -0.4678000    
 C    1.760000     -0.9652000     -9.7000003E-02
 C  -7.1199998E-02  -2.255400      0.1318000    
 C   0.9320000       1.249900      0.3906000    
 C    3.055000     -0.4830000     -0.3178000    
 C    2.222300       1.746400      0.1727000    
 C    3.266100      0.8915000     -0.1758000    
 C   -4.778900      0.6903000      -1.263300    
 C   -3.910600       1.430300      0.8510000    
 H   -2.318600      -1.310500       1.329200    
 H   -1.704800      0.3287000       1.440700    
 H   -2.766500      -1.038900      -1.109300    
 H   -2.153600      0.6120000      -1.061100    
 H  -0.6286000      -3.181900      0.1278000    
 H    1.811300      -3.066300     -0.3968000    
 H   0.1295000       1.930600      0.6601000    
 H    3.864900      -1.152400     -0.5893000    
 H    2.396800       2.814400      0.2800000    
 H   -4.870500     -0.1549000      -1.954600    
 H   -4.324100       1.529500      -1.802300    
 H   -5.798900      0.9736000     -0.9804000    
 H   -4.898700       1.881800       1.004600    
 H   -3.239300       2.219700      0.4933000    
 H   -3.595800       1.106000       1.847700    
 H    4.488100       2.364200     -0.2452000    


%chk=000015124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015124

0 1
O 4.587690 1.359420 -0.535179
N -3.991374 0.399596 -0.110257
N 1.361057 -2.346341 -0.067025
C -1.850004 -0.598385 0.799240
C -0.447611 -1.037655 0.454006
C 0.712411 -0.180758 0.246661
C -2.568557 0.090303 -0.391650
C 1.830707 -1.031038 -0.078712
C -0.010273 -2.345460 0.254953
C 0.925351 1.220397 0.311330
C 3.123877 -0.530742 -0.340784
C 2.208694 1.738301 0.055533
C 3.291108 0.864708 -0.269170
C -4.729002 0.742899 -1.344137
C -4.170037 1.432938 0.930043
H -2.464071 -1.465575 1.104717
H -1.816271 0.092184 1.664869
H -2.537440 -0.599490 -1.255743
H -1.997035 1.008081 -0.690903
H -0.570331 -3.276542 0.322644
H 1.922212 -3.174336 -0.251107
H 0.103105 1.899904 0.560711
H 3.977332 -1.167728 -0.589825
H 2.383874 2.821266 0.103919
H -4.640685 -0.082829 -2.072535
H -4.360425 1.679288 -1.837093
H -5.800555 0.880597 -1.111639
H -5.248715 1.599932 1.100297
H -3.706575 2.416686 0.655086
H -3.728587 1.100989 1.884697
H 4.601533 2.345092 -0.458448


