%chk=000117622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117622

0 1
 O   -4.230700      -1.046100     -2.6100000E-02
 O    4.234400      -1.052900      2.5500000E-02
 O   -1.947600     -0.6495000     -3.9299998E-02
 O    1.948700     -0.6711000      3.8199998E-02
 N   -5.010400       1.075000      2.0900000E-02
 N    5.000300       1.073300     -2.0199999E-02
 C   -1.387600       2.177300      1.0500000E-02
 C    1.381700       2.175800     -1.1000000E-02
 C  -0.7013000       2.177100       1.213200    
 C   0.6935000       2.176400       1.202400    
 C  -0.7199000       2.176900      -1.202800    
 C   0.6749000       2.176100      -1.213600    
 C   -2.862300       2.177400      2.3300000E-02
 C    2.836200       2.173700     -2.2900000E-02
 C   -3.644400       1.096900      9.4999997E-03
 C    3.634100       1.086300     -9.2000002E-03
 C   -5.272400     -0.1844000     -7.9999998E-04
 C    5.281500     -0.1898000      8.9999998E-04
 C   -6.574000     -0.8326000     -9.9999997E-05
 C    6.576300     -0.8242000      3.9999999E-04
 C   -3.103000     -0.2778000     -2.1400001E-02
 C    3.101600     -0.2919000      2.0800000E-02
 C   -7.736800     -6.2300000E-02  2.6500000E-02
 C    7.745000     -5.1800001E-02 -2.5500000E-02
 C   -6.660200      -2.224600     -2.6600000E-02
 C    6.682500      -2.221000      2.6300000E-02
 C   -8.985400     -0.6840000      2.6799999E-02
 C    8.997800     -0.6653000     -2.5800001E-02
 C   -7.908900      -2.846300     -2.6400000E-02
 C    7.935200      -2.834500      2.6100000E-02
 C   -9.071500      -2.075800      3.0000001E-04
 C    9.092800      -2.056600      9.9999997E-05
 H   -1.226400       2.177100       2.164700    
 H    1.230200       2.176000       2.148100    
 H   -1.259700       2.176900      -2.145900    
 H    1.196900       2.175200      -2.167500    
 H   -3.314300       3.166500      4.7499999E-02
 H    3.293800       3.160500     -4.6500001E-02
 H   -7.693300       1.023500      4.7300000E-02
 H    7.696200       1.034200     -4.5800000E-02
 H   -5.778500      -2.859100     -4.8000000E-02
 H    5.805100      -2.862200      4.7100000E-02
 H   -9.890800     -8.4399998E-02  4.7600001E-02
 H    9.899300     -5.9900001E-02 -4.6000000E-02
 H   -7.976600      -3.930100     -4.7100000E-02
 H    8.010000      -3.917900      4.6300001E-02
 H   -10.04370      -2.559900      3.9999999E-04
 H    10.06820      -2.534300     -9.9999997E-05


%chk=000117622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117622

0 1
O -5.697149 0.026797 -1.763494
O 5.698047 -0.095804 1.763827
O -3.521374 0.066836 -2.643158
O 3.522434 -0.132059 2.644010
N -5.258877 -0.067583 0.510035
N 5.259499 -0.003522 -0.509743
C -1.423564 -0.045567 0.227158
C 1.424174 -0.021434 -0.226452
C -0.485633 -0.082605 1.313575
C 0.897329 -0.071362 1.106475
C -0.896670 0.004574 -1.105774
C 0.486284 0.016040 -1.312838
C -2.830624 -0.063130 0.582021
C 2.831285 -0.004652 -0.581432
C -4.004656 -0.036560 -0.159867
C 4.005293 -0.032282 0.160390
C -6.198793 -0.030713 -0.424064
C 6.199518 -0.040362 0.424295
C -7.644637 -0.043031 -0.250278
C 7.645335 -0.030367 0.250171
C -4.245869 0.024288 -1.634390
C 4.246650 -0.091543 1.635011
C -8.187638 -0.102905 1.064431
C 8.188132 0.026954 -1.064748
C -8.512819 0.003127 -1.376348
C 8.513718 -0.076252 1.376093
C -9.583148 -0.116548 1.245449
C 9.583612 0.038319 -1.246105
C -9.908914 -0.010989 -1.184153
C 9.909784 -0.064464 1.183555
C -10.447656 -0.070795 0.123302
C 10.448319 -0.007203 -0.124102
H -0.869234 -0.120680 2.340470
H 1.578693 -0.100711 1.960412
H -1.578089 0.034177 -1.959636
H 0.869895 0.054745 -2.339704
H -3.030921 -0.106804 1.662286
H 3.031426 0.038386 -1.661726
H -7.502349 -0.137811 1.917293
H 7.502672 0.061703 -1.917481
H -8.084749 0.049128 -2.382261
H 8.085828 -0.120244 2.382173
H -10.000767 -0.162828 2.256774
H 10.001046 0.082621 -2.257595
H -10.577544 0.024424 -2.050727
H 10.578564 -0.099701 2.050024
H -11.533567 -0.081681 0.268103
H 11.534211 0.001873 -0.269155


