%chk=000020956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020956

0 1
 O   -2.758000      -2.137700      1.0800000E-02
 N   -1.676600     -9.0999998E-02  4.5200001E-02
 N   -6.545500       1.077600     -2.4800001E-02
 N  -0.4508000     -0.6671000      4.3000001E-02
 C    4.344300      0.3814000     -8.8999998E-03
 C   -4.103700     -0.2148000      9.8000001E-03
 C    4.792600     -0.8623000      0.4053000    
 C    5.226600       1.360000     -0.4371000    
 C    2.899400      0.6696000      6.3999998E-03
 C    6.160600      -1.134900      0.3909000    
 C    6.594500       1.087400     -0.4516000    
 C    7.061500     -0.1601000     -3.7500001E-02
 C   -5.185200     -0.8498000     -0.5528000    
 C   -4.199000       1.043200      0.5557000    
 C   -2.790300     -0.9097000      2.8200001E-02
 C    1.936000     -0.2610000      2.2299999E-02
 C   -6.386800     -0.1599000     -0.5453000    
 C   -5.444700       1.648400      0.5134000    
 C   0.5251000      0.1807000      2.6900001E-02
 H    4.129600      -1.642600      0.7654000    
 H    4.878400       2.336200     -0.7640000    
 H    2.633900       1.724700     -8.8000000E-03
 H    6.525200      -2.104400      0.7177000    
 H    7.296200       1.846300     -0.7852000    
 H   -5.126600      -1.839000     -0.9917000    
 H   -3.379600       1.564700       1.034600    
 H    8.126700     -0.3720000     -4.7699999E-02
 H    2.113600      -1.329000      1.4100000E-02
 H   -7.282000     -0.5990000     -0.9732000    
 H   -5.596200       2.638000      0.9320000    
 H   -1.716100      0.9220000      4.9000001E-03
 H   0.3569000       1.273700      1.7600000E-02


%chk=000020956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020956

0 1
O -2.738533 -2.157651 0.167802
N -1.714133 -0.045748 0.014154
N -6.756833 0.996950 -0.031372
N -0.428037 -0.549216 0.094462
C 4.425870 0.358233 -0.063716
C -4.158422 -0.191796 0.057098
C 4.884796 -0.975503 0.155261
C 5.401322 1.384862 -0.231535
C 3.004520 0.717658 -0.124225
C 6.261887 -1.263342 0.203679
C 6.780413 1.095883 -0.182858
C 7.218142 -0.231020 0.035360
C -5.284080 -0.926827 -0.390936
C -4.365643 1.146443 0.481717
C -2.825997 -0.903771 0.095056
C 1.930173 -0.129993 0.020431
C -6.546379 -0.297627 -0.423713
C -5.669715 1.689515 0.419663
C 0.559488 0.321640 -0.058633
H 4.163079 -1.788959 0.286539
H 5.066785 2.416097 -0.401237
H 2.794444 1.783433 -0.305948
H 6.595978 -2.293120 0.372312
H 7.512137 1.900546 -0.314429
H -5.156703 -1.969928 -0.694779
H -3.556081 1.757718 0.896981
H 8.288650 -0.460291 0.073807
H 2.061977 -1.202535 0.204530
H -7.433046 -0.837599 -0.773071
H -5.862775 2.716736 0.748968
H -1.873810 0.957069 -0.168609
H 0.380527 1.401744 -0.247161


