%chk=000005376.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005376

0 1
 O    4.320500      0.8334000     -0.6941000    
 N    7.520500     -0.2297000      0.7944000    
 C   -1.202400      0.1021000     -7.3500000E-02
 C   -2.027700       1.170300      0.1895000    
 C   0.2305000      0.2921000     -0.2341000    
 C   -1.542700       2.597800      0.3941000    
 C   -1.806700      -1.266500     -0.1883000    
 C   -3.495300       1.021500      0.3563000    
 C    1.073500      0.2154000      0.8747000    
 C   0.7622000      0.5512000      -1.497500    
 C   -1.483000       3.390700     -0.9061000    
 C    2.970200      0.6548000     -0.5421000    
 C    2.447900      0.3972000      0.7203000    
 C    2.136700      0.7332000      -1.651900    
 C   -1.913600      -2.028200      0.9485000    
 C   -2.223700      -1.693700      -1.424100    
 C   -4.002100      0.7803000       1.617200    
 C   -4.308000       1.127800     -0.7541000    
 C    6.613000      0.4494000     -0.1298000    
 C    5.164900      0.1412000      0.2161000    
 C   -2.474800      -3.300900      0.8425000    
 C   -2.784800      -2.966400      -1.530000    
 C   -5.381000      0.6398000       1.774600    
 C   -5.686900      0.9872000     -0.5966000    
 C   -2.910700      -3.770100     -0.3968000    
 C   -6.223600      0.7435000      0.6677000    
 C    7.317200      -1.676900      0.7396000    
 C    8.910100      0.1034000      0.4833000    
 H  -0.5525000       2.609300      0.8631000    
 H   -2.194000       3.124000       1.104200    
 H   0.6741000      2.0500001E-02   1.867400    
 H   0.1204000      0.6124000      -2.373100    
 H  -0.8293000       2.921200      -1.645400    
 H   -1.097200       4.396700     -0.7109000    
 H   -2.476700       3.499000      -1.352100    
 H    3.047400      0.3481000       1.621400    
 H    2.546800      0.9341000      -2.637500    
 H   -1.577200      -1.671700       1.917400    
 H   -2.130200      -1.075300      -2.311700    
 H    6.759800       1.536000     -7.3799998E-02
 H    6.810800      0.1709000      -1.173900    
 H   -3.355400      0.6991000       2.486400    
 H   -3.901800       1.315500      -1.744100    
 H    5.003900      0.4858000       1.243300    
 H    4.937800     -0.9267000      0.1353000    
 H   -2.572800      -3.926300       1.725000    
 H   -3.124200      -3.331500      -2.494900    
 H   -5.798600      0.4498000       2.758900    
 H   -6.342700       1.066900      -1.458700    
 H   -3.348000      -4.760700     -0.4793000    
 H   -7.297200      0.6339000      0.7901000    
 H    6.381600      -1.977000       1.221200    
 H    7.340500      -2.066500     -0.2847000    
 H    8.101400      -2.193200       1.307000    
 H    9.589400     -0.3580000       1.208700    
 H    9.200400     -0.2274000     -0.5206000    
 H    9.071200       1.185200      0.5500000    


%chk=000005376-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005376

0 1
O 4.371307 0.719071 -0.552716
N 7.752537 -0.528453 0.427136
C -1.321515 0.162248 0.112141
C -2.162491 1.243530 0.326004
C 0.163688 0.309714 -0.033440
C -1.642539 2.643003 0.655496
C -1.823178 -1.254327 0.060667
C -3.655965 1.131880 0.241218
C 1.049818 -0.536501 0.684702
C 0.743235 1.257252 -0.926967
C -1.989891 3.717966 -0.407466
C 2.999166 0.528936 -0.332916
C 2.450848 -0.431885 0.554112
C 2.135904 1.369709 -1.078758
C -2.729675 -1.756449 1.034916
C -1.353372 -2.149015 -0.941071
C -4.501927 1.724033 1.220602
C -4.275012 0.488248 -0.868038
C 6.719600 0.302846 -0.233737
C 5.311972 -0.135938 0.193054
C -3.168986 -3.096561 0.995582
C -1.799181 -3.487590 -0.988340
C -5.908027 1.651106 1.112571
C -5.678874 0.421537 -0.983129
C -2.711385 -3.968902 -0.020064
C -6.505764 0.999005 0.009306
C 7.939789 -1.844584 -0.218624
C 9.035633 0.180703 0.606518
H -0.552736 2.614903 0.819394
H -2.093142 2.961952 1.618483
H 0.633428 -1.287342 1.365307
H 0.087278 1.896669 -1.527099
H -1.530584 3.479153 -1.384241
H -1.620734 4.710836 -0.091008
H -3.081472 3.789602 -0.559763
H 3.095290 -1.094437 1.139301
H 2.576443 2.091619 -1.773357
H -3.083672 -1.088739 1.827371
H -0.637788 -1.786296 -1.687988
H 6.858633 1.355077 0.072361
H 6.789451 0.274513 -1.348645
H -4.059323 2.229315 2.087079
H -3.642851 0.042786 -1.643378
H 5.185173 0.006418 1.283761
H 5.123070 -1.200136 -0.054097
H -3.865478 -3.461665 1.759077
H -1.433235 -4.155087 -1.777076
H -6.536248 2.103416 1.888709
H -6.128411 -0.078117 -1.848883
H -3.054361 -5.009333 -0.051759
H -7.596796 0.946374 -0.078554
H 6.980864 -2.387786 -0.276306
H 8.353953 -1.767336 -1.256366
H 8.634839 -2.456512 0.383492
H 9.728227 -0.452379 1.190188
H 9.540969 0.441104 -0.358034
H 8.871401 1.114845 1.171774


