%chk=000063540.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063540

0 1
 I   -5.874800      -2.293700      1.4600000E-02
 O  -0.3286000      -1.863200      9.7400002E-02
 N   0.3201000      0.4010000      6.3699998E-02
 N   -1.365800       2.077200     -2.9899999E-02
 C    1.714600      5.6100000E-02  1.8600000E-02
 C  -0.1180000       1.727200      3.6699999E-02
 C   -2.027900     -0.2742000      4.6700001E-02
 C  -0.6033000     -0.6655000      9.2000000E-02
 C    2.341800     -0.1073000      -1.210200    
 C    2.419100     -0.1094000       1.204400    
 C   -2.347100       1.081100     -3.7300002E-02
 C    3.695300     -0.4416000      -1.253900    
 C    3.772700     -0.4436000       1.160900    
 C    4.410800     -0.6097000     -6.8400003E-02
 C   -3.035500      -1.246000      6.1799999E-02
 C   0.8799000       2.862000      0.1471000    
 C   -3.693700       1.457000     -0.1060000    
 C    4.377700     -0.6181000      -2.568000    
 C    4.537800     -0.6238000       2.427900    
 C   -4.372800     -0.8581000     -6.5000001E-03
 C   -4.702400      0.4925000     -9.1499999E-02
 H    1.780600      2.3300000E-02  -2.132300    
 H    1.918100      1.9200001E-02   2.160800    
 H    5.465200     -0.8738000     -0.1024000    
 H   -2.778100      -2.300600      0.1243000    
 H    1.584300       2.819700     -0.6881000    
 H    1.435000       2.774800       1.085200    
 H   0.3710000       3.830100      0.1275000    
 H   -3.965600       2.508200     -0.1677000    
 H    5.434400     -0.3367000      -2.505500    
 H    4.310900      -1.662500      -2.888500    
 H    3.923300      1.4800000E-02  -3.337900    
 H    5.587100     -0.3368000       2.299900    
 H    4.130500      2.7000001E-03   3.228700    
 H    4.496300      -1.670100       2.746200    
 H   -5.738200      0.8178000     -0.1458000    


%chk=000063540-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063540

0 1
I -5.965965 -2.367525 0.032599
O -0.225373 -1.886703 0.003176
N 0.287351 0.411902 0.002623
N -1.416704 2.118278 0.016311
C 1.710097 0.078277 -0.009950
C -0.138993 1.760475 0.008222
C -2.055130 -0.282108 0.015725
C -0.637463 -0.693224 0.007109
C 2.372971 -0.071055 -1.244163
C 2.389808 -0.096061 1.211709
C -2.392967 1.107248 0.019405
C 3.751582 -0.395474 -1.269456
C 3.768619 -0.420724 1.211256
C 4.431003 -0.554968 -0.035188
C -3.068729 -1.275914 0.019493
C 0.918225 2.837260 0.005379
C -3.766287 1.479716 0.026671
C 4.473810 -0.595078 -2.590324
C 4.508847 -0.646656 2.517843
C -4.412399 -0.877622 0.026684
C -4.771452 0.499440 0.030228
H 1.813280 0.049465 -2.178850
H 1.843130 0.005327 2.156279
H 5.500655 -0.800689 -0.044924
H -2.763742 -2.326255 0.016423
H 1.565712 2.769849 -0.886912
H 1.580005 2.760156 0.886351
H 0.408736 3.811013 0.014552
H -4.015177 2.544868 0.029393
H 5.566807 -0.495539 -2.474070
H 4.274373 -1.604887 -2.997838
H 4.142127 0.134183 -3.350786
H 5.600298 -0.546680 2.388308
H 4.189114 0.068625 3.296490
H 4.313116 -1.663636 2.908998
H -5.824583 0.794716 0.035733


