%chk=000025168.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025168

0 1
 O   -2.417100       2.463300      -1.007500    
 O    7.961300     -0.8381000     -0.4115000    
 N    1.593500      0.3952000     -4.7499999E-02
 N    5.307000      7.4900001E-02  6.0800001E-02
 C   -2.376400       2.389500      0.4276000    
 C  -0.8910000      0.3097000      0.3094000    
 C   -1.076700       1.748400      0.8735000    
 C   -2.553900       3.812100      0.9295000    
 C   -3.478400       4.385900     -0.1147000    
 C   0.5091000     -0.2446000      0.6918000    
 C   -1.968200     -0.6411000      0.7323000    
 C   -2.960300       3.738400      -1.381200    
 C    2.886400     -0.1116000      0.3882000    
 C   -2.813700      -1.269200     -0.1967000    
 C    4.007900      0.5708000     -0.3891000    
 C   -2.105800     -0.8854000       2.099100    
 C    6.381000       1.000900     -0.3247000    
 C    5.573700      -1.261900     -0.4880000    
 C   -3.812700      -2.157900      0.2674000    
 C    7.727500      0.4567000      0.1438000    
 C    6.938800      -1.752700     -1.4500000E-02
 C   -3.087900      -1.759500       2.555300    
 C   -2.689700      -1.035200      -1.575900    
 C   -3.936600      -2.392300       1.646600    
 C   -4.658100      -2.786300     -0.6614000    
 C   -3.538600      -1.668000      -2.484400    
 C   -4.521000      -2.541800      -2.028100    
 H   -3.239000       1.790700      0.7434000    
 H  -0.8511000      0.4339000     -0.7712000    
 H  -0.2399000       2.364800      0.5195000    
 H   -1.023600       1.747100       1.968800    
 H   -2.961400       3.857700       1.943200    
 H   -1.602400       4.357400      0.9168000    
 H   -4.506800       4.058800      7.9300001E-02
 H   -3.469500       5.478100     -0.1590000    
 H   0.5359000      -1.323000      0.4840000    
 H   0.6714000     -0.1188000       1.770000    
 H   -3.742900       3.599500      -2.132400    
 H   -2.150400       4.327200      -1.824700    
 H    1.472800      0.2314000      -1.046500    
 H    3.021500      8.0499999E-02   1.460200    
 H    2.908800      -1.195900      0.2379000    
 H    3.880200      0.4402000      -1.472000    
 H    3.936300       1.649500     -0.1929000    
 H   -1.459500     -0.4082000       2.830400    
 H    6.397300       1.129900      -1.414800    
 H    6.221000       1.984300      0.1322000    
 H    4.827300      -1.991400     -0.1604000    
 H    5.561200      -1.233200      -1.585500    
 H    7.783000      0.4012000       1.237900    
 H    8.533800       1.114700     -0.1956000    
 H    7.165300      -2.721900     -0.4705000    
 H    6.967000      -1.883800       1.074100    
 H   -3.194600      -1.949800       3.619300    
 H   -1.957700     -0.3753000      -2.023400    
 H   -4.697300      -3.071700       2.025600    
 H   -5.432900      -3.473200     -0.3273000    
 H   -3.433300      -1.479100      -3.549000    
 H   -5.181500      -3.034000      -2.736000    


%chk=000025168-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025168

0 1
O -1.948707 2.247351 -1.305658
O 8.162982 -0.249981 -0.378550
N 1.530268 0.144810 0.078644
N 5.329988 0.254996 0.064714
C -2.230900 2.194987 0.172825
C -0.942943 -0.044745 0.358640
C -1.106810 1.416463 0.870504
C -2.366410 3.670281 0.624689
C -2.770174 4.416032 -0.672820
C 0.451659 -0.602394 0.760778
C -2.076906 -0.964956 0.825026
C -1.947194 3.664170 -1.737273
C 2.898788 -0.269283 0.451182
C -3.187077 -1.321506 -0.038321
C 3.932983 0.618104 -0.269822
C -2.047793 -1.484123 2.129490
C 6.284734 1.365210 -0.191044
C 5.799428 -0.979232 -0.618638
C -4.202284 -2.238902 0.455718
C 7.689344 0.971574 0.294516
C 7.210983 -1.345970 -0.132059
C -3.055966 -2.367945 2.618329
C -3.345917 -0.798981 -1.370129
C -4.111429 -2.749906 1.791188
C -5.291698 -2.616850 -0.398653
C -4.421343 -1.183877 -2.174802
C -5.400907 -2.107656 -1.692775
H -3.197811 1.664202 0.279203
H -0.949173 0.008900 -0.746548
H -0.146700 1.940611 0.701412
H -1.304023 1.406344 1.962501
H -3.108036 3.787753 1.432964
H -1.392109 4.044530 0.993729
H -3.851114 4.292980 -0.867053
H -2.539512 5.494998 -0.638159
H 0.478908 -1.699226 0.545438
H 0.611850 -0.487854 1.851754
H -2.384045 3.702938 -2.749956
H -0.904187 4.043741 -1.775178
H 1.396378 0.137534 -0.943576
H 3.024308 -0.137509 1.542178
H 3.095706 -1.349061 0.234019
H 3.749560 0.580721 -1.377161
H 3.757870 1.662671 0.046269
H -1.222751 -1.214164 2.798723
H 6.336027 1.623984 -1.279426
H 5.945956 2.263815 0.358609
H 5.110487 -1.812999 -0.391559
H 5.819868 -0.842131 -1.730565
H 7.667782 0.808554 1.393810
H 8.430002 1.750409 0.047998
H 7.610257 -2.212356 -0.685073
H 7.179034 -1.576660 0.954741
H -2.988180 -2.750233 3.642966
H -2.638333 -0.058369 -1.755749
H -4.884849 -3.439524 2.150318
H -6.043717 -3.315005 -0.010738
H -4.520561 -0.766307 -3.182989
H -6.236492 -2.403157 -2.337099


