%chk=000019730.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019730

0 1
 I   -1.803600      -3.069600      0.7063000    
 I   -1.711700       3.031500      0.8095000    
 O  -0.7533000     -4.0700000E-02   1.136400    
 O  -3.0000000E-03 -3.9299998E-02  -1.078300    
 N   -7.065200      9.4599999E-02  -1.242500    
 C    5.261200     -7.6300003E-02 -0.5491000    
 C    4.094200     -0.1157000      0.4424000    
 C    6.633300     -1.9600000E-02  0.1257000    
 C    2.719700     -9.6699998E-02 -0.2352000    
 C    7.754100      9.2100002E-02 -0.9091000    
 C    1.574000     -6.9600001E-02  0.7774000    
 C    9.118400      0.1871000     -0.2446000    
 C   0.2072000     -3.7999999E-02  0.1271000    
 C   -2.060300     -1.2600000E-02  0.6441000    
 C   -2.702000      -1.206900      0.3885000    
 C   -2.665600       1.208500      0.4293000    
 C   -4.007100      -1.178900     -0.1034000    
 C   -3.970600       1.236300     -6.2600002E-02
 C   -4.641300      4.2599998E-02 -0.3289000    
 C   -5.978200      7.1300000E-02 -0.8328000    
 H    5.211000     -0.9588000      -1.198800    
 H    5.144300      0.8007000      -1.198000    
 H    4.179700      -1.014700       1.065000    
 H    4.171300      0.7458000       1.117300    
 H    6.779200     -0.9178000      0.7375000    
 H    6.671800      0.8427000      0.8022000    
 H    2.618900     -0.9766000     -0.8826000    
 H    2.646900      0.7814000     -0.8891000    
 H    7.735600     -0.7800000      -1.573000    
 H    7.598300      0.9793000      -1.533800    
 H    1.627600     -0.9622000       1.410800    
 H    1.666400      0.8201000       1.410500    
 H    9.320000     -0.6995000      0.3651000    
 H    9.904500      0.2644000      -1.002300    
 H    9.180100       1.069400      0.4004000    
 H   -4.537800      -2.105600     -0.3141000    
 H   -4.473200       2.185100     -0.2417000    


%chk=000019730-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019730

0 1
I -1.790127 -3.104229 0.545287
I -1.823475 3.061171 0.674024
O -0.781462 -0.022108 0.911611
O 0.000198 0.025834 -1.308403
N -7.441923 -0.021440 -0.781041
C 5.361183 0.019557 -0.593365
C 4.148346 0.008614 0.364005
C 6.719457 0.015883 0.143454
C 2.795420 0.012195 -0.381035
C 7.932895 0.025720 -0.814088
C 1.602581 -0.000849 0.594297
C 9.286700 0.021738 -0.071737
C 0.261723 0.004126 -0.099599
C -2.127025 -0.021048 0.503884
C -2.819741 -1.244357 0.311908
C -2.833110 1.201608 0.363247
C -4.186838 -1.253611 -0.020864
C -4.200304 1.210036 0.030963
C -4.880260 -0.021980 -0.164078
C -6.279498 -0.022551 -0.501502
H 5.306361 -0.862488 -1.264984
H 5.302682 0.913026 -1.249418
H 4.208961 -0.885504 1.019531
H 4.205060 0.891347 1.035120
H 6.779932 -0.877490 0.799998
H 6.776927 0.898592 0.814523
H 2.734019 -0.866466 -1.051478
H 2.728870 0.903507 -1.034032
H 7.874885 -0.856086 -1.484484
H 7.872100 0.918298 -1.469841
H 1.633802 -0.889526 1.255708
H 1.630473 0.874268 1.273877
H 9.386422 -0.876463 0.566683
H 10.136532 0.029226 -0.778785
H 9.383316 0.909294 0.581866
H -4.718255 -2.196530 -0.168627
H -4.742026 2.152485 -0.077028


