%chk=000046144.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046144

0 1
 O   -2.827100       1.685400      0.4237000    
 O    4.811800      0.5358000      0.1892000    
 O   -1.525000      0.2281000       1.611500    
 N   -4.960600      -1.251500     -0.3431000    
 N  -0.6120000       1.691300      2.2600001E-02
 C   -3.799600     -0.3722000     -0.3656000    
 C   -3.983800      0.8484000      0.5393000    
 C   -4.793500      -2.353200      -1.293500    
 C   -5.185700      -1.776200       1.005600    
 C   -5.199400       1.688600      0.1692000    
 C   -4.558400      -1.832800      -2.701300    
 C   -6.433600      -2.641200       1.057000    
 C   -1.632800       1.111700      0.7700000    
 C   0.7561000       1.410100      5.2600000E-02
 C    6.493700      -1.137100     -0.1368000    
 C    1.646100       2.096700     -0.7736000    
 C    5.168900     -0.7964000      0.5309000    
 C    6.931500      -2.565100      0.1756000    
 C    3.472600      0.8251000      0.1444000    
 C    3.009000       1.803300     -0.7275000    
 C    1.229500      0.4294000      0.9245000    
 C    2.592500      0.1358000      0.9705000    
 C    1.166900       3.151400      -1.717600    
 C    8.232900      -2.915400     -0.5279000    
 H   -3.616600      3.2800000E-02  -1.367600    
 H   -2.895700     -0.9364000     -0.1067000    
 H   -4.063700      0.5777000       1.597300    
 H   -3.972500      -3.022400      -1.006600    
 H   -5.707000      -2.954200      -1.349700    
 H   -4.322800      -2.346100       1.372700    
 H   -5.370700     -0.9672000       1.717700    
 H   -6.136800       1.143100      0.3103000    
 H   -5.140600       2.022800     -0.8726000    
 H   -5.235200       2.594900      0.7841000    
 H   -5.269600      -1.043900      -2.969800    
 H   -3.538900      -1.462700      -2.847400    
 H   -4.694800      -2.649600      -3.419500    
 H   -7.288200      -2.150200      0.5787000    
 H   -6.282600      -3.622500      0.5969000    
 H   -6.708000      -2.827100       2.101700    
 H    6.398300     -0.9985000      -1.221300    
 H    7.260900     -0.4239000      0.1896000    
 H    5.266500     -0.8745000       1.619900    
 H    4.421400      -1.519300      0.1786000    
 H  -0.9164000       2.411600     -0.6258000    
 H    7.061600      -2.686300       1.257300    
 H    6.154500      -3.271500     -0.1389000    
 H    3.713100       2.330800      -1.366000    
 H   0.6081000     -0.1415000       1.599700    
 H    2.924500     -0.6135000       1.682800    
 H    1.992100       3.588000      -2.291000    
 H   0.4605000       2.729500      -2.440200    
 H   0.6870000       3.969400      -1.170000    
 H    8.125000      -2.837300      -1.614400    
 H    9.040800      -2.246900     -0.2136000    
 H    8.528700      -3.941600     -0.2888000    


%chk=000046144-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046144

0 1
O -2.670090 1.253154 -0.431215
O 5.125483 0.128458 -0.355207
O -1.487258 -0.467145 0.677263
N -5.468718 -1.283788 -0.338313
N -0.423945 1.204166 -0.632101
C -4.385104 -0.461859 -0.929904
C -3.961421 0.660011 0.049646
C -6.463862 -1.765623 -1.332793
C -4.934159 -2.373280 0.530014
C -4.961500 1.809568 0.129365
C -7.412478 -0.655618 -1.824334
C -5.916679 -2.794361 1.638916
C -1.501643 0.555268 -0.058594
C 0.959895 0.878857 -0.521728
C 7.182700 -0.967975 0.286233
C 1.892693 1.701164 -1.232588
C 5.660659 -0.991052 0.440340
C 7.866175 -2.107058 1.078171
C 3.731378 0.312796 -0.360784
C 3.264909 1.401296 -1.137515
C 1.423747 -0.209346 0.254496
C 2.803652 -0.494983 0.337139
C 1.421260 2.875093 -2.075297
C 9.402566 -2.087285 0.929077
H -4.740758 0.004564 -1.866497
H -3.490196 -1.075747 -1.185264
H -3.771708 0.220123 1.045628
H -5.964397 -2.251836 -2.209308
H -7.068185 -2.551008 -0.843511
H -4.646474 -3.265641 -0.081135
H -4.000118 -2.007701 0.994884
H -5.949417 1.394177 0.393713
H -5.042403 2.326903 -0.843821
H -4.664029 2.546442 0.894807
H -7.961510 -0.219420 -0.971422
H -6.864775 0.160742 -2.329366
H -8.144488 -1.064360 -2.545841
H -6.160290 -1.930284 2.281606
H -6.863612 -3.188234 1.226520
H -5.469740 -3.587394 2.267191
H 7.435670 -1.051069 -0.788235
H 7.563746 0.012563 0.630893
H 5.366680 -0.866452 1.504269
H 5.237946 -1.948410 0.067783
H -0.674193 2.019048 -1.194638
H 7.598594 -2.024453 2.151460
H 7.474227 -3.085422 0.732356
H 4.002064 2.011829 -1.669105
H 0.700240 -0.827460 0.790042
H 3.130614 -1.342711 0.945748
H 2.276699 3.385309 -2.546731
H 0.743140 2.554487 -2.891650
H 0.884743 3.633421 -1.469971
H 9.699073 -2.196782 -0.130941
H 9.824016 -1.133502 1.298123
H 9.873479 -2.908681 1.499224


