%chk=000009352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009352

0 1
 O   -4.910000      -2.160000      2.3000001E-03
 O    4.909900      -2.160000     -2.7999999E-03
 N   -4.805900      0.1953000       0.000000    
 N    4.806100      0.1952000      7.9999998E-04
 C    0.000000      -1.237600     -5.0000002E-04
 C   -1.175000     -0.2821000     -6.0000003E-04
 C    1.174900     -0.2821000     -3.0000001E-04
 C  -0.7236000       1.057000     -3.9999999E-04
 C   0.7235000       1.057000     -1.9999999E-04
 C   -2.524000     -0.5904000     -6.9999998E-04
 C    2.524000     -0.5903000       0.000000    
 C   -1.629200       2.104600     -9.9999997E-05
 C    1.629200       2.104600      1.9999999E-04
 C   -3.436700      0.4659000     -3.9999999E-04
 C    3.436700      0.4659000      1.9999999E-04
 C   -2.993800       1.800000     -9.9999997E-05
 C    2.993900       1.800000      3.0000001E-04
 C   -5.440300      -1.053800     -3.0000001E-04
 C    5.440300      -1.053800      8.9999998E-04
 C   -6.942300     -0.9177000      1.9999999E-04
 C    6.942300     -0.9177000      1.5000000E-03
 H  -9.9999997E-05  -1.851800      0.9046000    
 H   9.9999997E-05  -1.851800     -0.9057000    
 H   -2.787800      -1.637000     -1.0000000E-03
 H    2.787800      -1.637000      3.9999999E-04
 H   -1.302600       3.139100      9.9999997E-05
 H    1.302600       3.139100      3.9999999E-04
 H   -3.712900       2.616400      3.0000001E-04
 H    3.713000       2.616400      6.0000003E-04
 H   -5.410700       1.014100      9.9999997E-05
 H    5.410800       1.014000      1.3000000E-03
 H   -7.265900     -0.3999000      0.9075000    
 H   -7.404400      -1.908400     -2.8000001E-02
 H   -7.264200     -0.3517000     -0.8786000    
 H    7.266600     -0.3998000     -0.9055000    
 H    7.404300      -1.908400      2.9899999E-02
 H    7.263500     -0.3518000      0.8805000    


%chk=000009352-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009352

0 1
O -5.078402 -2.144130 -0.005417
O 5.078400 -2.144147 0.005429
N -4.910774 0.199949 -0.002653
N 4.910780 0.199934 0.003076
C 0.000000 -1.290364 0.000124
C -1.193548 -0.341668 -0.000506
C 1.193553 -0.341673 0.000869
C -0.735668 1.011638 -0.000124
C 0.735678 1.011635 0.000688
C -2.559673 -0.660026 -0.001382
C 2.559676 -0.660036 0.001685
C -1.674454 2.067591 -0.000543
C 1.674466 2.067585 0.001256
C -3.500546 0.409107 -0.001821
C 3.500552 0.409096 0.002267
C -3.049236 1.760882 -0.001397
C 3.049247 1.760873 0.002047
C -5.624472 -1.002248 -0.003212
C 5.624474 -1.002265 0.003358
C -7.143495 -0.812691 0.001370
C 7.143498 -0.812721 -0.001209
H -0.000505 -1.954622 0.886218
H 0.000502 -1.954506 -0.886055
H -2.920212 -1.690385 -0.001949
H 2.920215 -1.690395 0.002100
H -1.350493 3.114170 -0.000221
H 1.350506 3.114165 0.001089
H -3.785928 2.575358 -0.001727
H 3.785943 2.575345 0.002493
H -5.474897 1.053410 -0.002279
H 5.474905 1.053394 0.002883
H -7.479473 -0.291074 0.916962
H -7.618681 -1.803411 -0.033413
H -7.480758 -0.225842 -0.873279
H 7.479501 -0.291507 -0.917021
H 7.618673 -1.803431 0.034003
H 7.480748 -0.225492 0.873190


