%chk=000009414.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009414

0 1
 O    2.191300     -2.9000000E-03  0.9663000    
 O    2.677700      1.2000001E-03  -1.307300    
 N   -3.228300      3.5999999E-03 -0.2978000    
 N    4.377800     -2.2000000E-03  0.2713000    
 C   -1.851200      2.0000001E-03  2.3600001E-02
 C   -1.170800       1.209300      0.1839000    
 C   -1.172800      -1.206800      0.1796000    
 C   0.1878000       1.207700      0.4996000    
 C   0.1858000      -1.208300      0.4956000    
 C   0.8661000     -1.2000001E-03  0.6556000    
 C   -1.871000       2.519300      2.1199999E-02
 C   -1.874400      -2.516000      1.5400000E-02
 C   -3.655400      5.9000002E-03  -1.680800    
 C   -4.223400     -1.1200000E-02  0.7535000    
 C    3.061200     -1.9999999E-04 -0.1412000    
 C    5.499700     -9.9999997E-05 -0.6384000    
 H   0.7275000       2.142900      0.6279000    
 H   0.7242000      -2.144800      0.6201000    
 H   -2.640500       2.642000      0.7897000    
 H   -1.178900       3.363200      0.1190000    
 H   -2.329200       2.597500     -0.9697000    
 H   -1.213700      -3.360400      0.2416000    
 H   -2.728500      -2.590900      0.6955000    
 H   -2.217200      -2.641400      -1.016300    
 H   -4.621000      0.5114000      -1.790000    
 H   -2.938500      0.5258000      -2.325600    
 H   -3.765900      -1.019400      -2.047500    
 H   -5.132800     -0.5247000      0.4231000    
 H   -3.861200     -0.5290000       1.648400    
 H   -4.494300       1.011200       1.035100    
 H    4.568400     -4.6999999E-03   1.268600    
 H    6.101500      0.8890000     -0.4355000    
 H    5.169000      5.2999998E-03  -1.679600    
 H    6.098100     -0.8935000     -0.4438000    


%chk=000009414-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009414

0 1
O 2.301947 -0.611173 -0.028037
O 3.113814 1.638025 -0.082460
N -3.361943 -0.105523 -0.080965
N 4.518996 -0.240535 0.025576
C -1.929567 -0.167911 -0.096381
C -1.122614 1.014150 -0.112062
C -1.293277 -1.454049 -0.080644
C 0.290789 0.916817 -0.074313
C 0.115901 -1.529967 -0.073223
C 0.896364 -0.356243 -0.059548
C -1.748182 2.395744 -0.219138
C -2.113893 -2.729189 -0.034101
C -4.132168 -0.503920 -1.263497
C -4.082256 0.695807 0.910596
C 3.299831 0.397266 -0.032808
C 5.782002 0.499505 0.035137
H 0.906920 1.817185 -0.086606
H 0.621278 -2.501067 -0.049864
H -2.165033 2.745200 0.744697
H -0.997465 3.136699 -0.541671
H -2.576797 2.400221 -0.949975
H -1.537031 -3.556798 0.413556
H -3.034637 -2.567463 0.553927
H -2.430851 -3.057760 -1.043773
H -4.453007 0.369352 -1.879598
H -3.523795 -1.158391 -1.908574
H -5.047867 -1.060465 -0.973442
H -4.994115 0.152784 1.236829
H -3.448352 0.850574 1.799721
H -4.409129 1.695114 0.539171
H 4.511640 -1.259781 0.061755
H 6.354870 0.305624 0.960998
H 5.545326 1.574171 -0.013752
H 6.409404 0.235597 -0.836431


