%chk=000046730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046730

2 1
 N  -0.2555000      -1.387800      0.2105000    
 N    4.277000      0.6278000     -0.2320000    
 C   0.6238000     -0.5506000     -0.7178000    
 C  -0.4290000     -0.7244000       1.578100    
 C   -1.642100      -1.621400     -0.4120000    
 C    1.995300     -0.3160000     -9.3699999E-02
 C   -1.145500      0.6185000       1.461200    
 C   0.4322000      -2.741000      0.4079000    
 C   -2.591900     -0.4572000     -0.3213000    
 C    2.989300      0.4656000     -0.9462000    
 C   -2.380400      0.5811000      0.6002000    
 C   -3.739200     -0.4430000      -1.127300    
 C    5.253000       1.486100      -1.050400    
 C    4.067000       1.312400       1.126700    
 C    4.939300     -0.7347000      2.0000000E-02
 C   -3.302900       1.635100      0.6740000    
 C   -4.654700      0.6048000      -1.038300    
 C   -4.435600       1.644700     -0.1393000    
 H   0.7186000      -1.098700      -1.663000    
 H   0.1160000      0.3955000     -0.9295000    
 H   0.5344000     -0.6447000       2.089200    
 H   -1.043100      -1.416000       2.171200    
 H   -2.095700      -2.465300      0.1226000    
 H   -1.474700      -1.915100      -1.455000    
 H    2.443300      -1.277600      0.1484000    
 H    1.842800      0.2349000      0.8338000    
 H  -0.4631000       1.377800       1.061300    
 H   -1.421300      0.9428000       2.472500    
 H   0.7239000      -3.136900     -0.5691000    
 H    1.288900      -2.634800       1.077600    
 H  -0.2820000      -3.421000      0.8838000    
 H    3.182600     -5.0500002E-02  -1.894300    
 H    2.595400       1.463700      -1.173400    
 H   -3.924700      -1.251700      -1.830000    
 H    5.418500      0.9883000      -2.010400    
 H    4.797300       2.469300      -1.199700    
 H    6.192300       1.577700     -0.4974000    
 H    3.450000       2.202700      0.9747000    
 H    3.605000      0.6149000       1.829900    
 H    5.049200       1.598900       1.516500    
 H    4.388800      -1.283200      0.7876000    
 H    4.965100      -1.286300     -0.9242000    
 H    5.957800     -0.5552000      0.3790000    
 H   -3.141100       2.456700       1.367400    
 H   -5.538400      0.6090000      -1.669600    
 H   -5.145600       2.463600     -7.1599998E-02


%chk=000046730-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046730

2 1
N -0.349731 -1.638254 0.407980
N 4.239617 0.767593 -0.288653
C 0.613314 -0.756279 -0.411200
C -0.678991 -1.049923 1.805969
C -1.696324 -1.732061 -0.363168
C 1.993246 -0.487051 0.239044
C -1.239334 0.375543 1.722613
C 0.210488 -3.047249 0.577850
C -2.442156 -0.410062 -0.401238
C 2.793477 0.421235 -0.725468
C -2.286825 0.556807 0.627543
C -3.376460 -0.195732 -1.444367
C 4.835133 1.693966 -1.362201
C 4.254852 1.502018 1.054279
C 5.108578 -0.489870 -0.195307
C -3.082592 1.727127 0.597343
C -4.169998 0.970195 -1.459519
C -4.024704 1.932696 -0.432549
H 0.738146 -1.276612 -1.378207
H 0.074005 0.186100 -0.604953
H 0.235141 -1.107414 2.420150
H -1.423866 -1.742146 2.235115
H -2.277730 -2.511218 0.164765
H -1.468400 -2.105856 -1.376983
H 2.530340 -1.437603 0.402939
H 1.862190 0.012722 1.214674
H -0.418188 1.109501 1.587948
H -1.677533 0.607095 2.711588
H 0.419289 -3.479583 -0.413321
H 1.128660 -3.018079 1.182816
H -0.536953 -3.667205 1.095797
H 2.888832 -0.055554 -1.717611
H 2.279482 1.389822 -0.859809
H -3.499924 -0.943471 -2.236964
H 4.836105 1.172362 -2.331430
H 4.229979 2.611096 -1.426654
H 5.866936 1.950259 -1.078645
H 3.597527 2.383010 0.994080
H 3.919544 0.825376 1.853279
H 5.284810 1.826561 1.266682
H 4.753830 -1.131043 0.624216
H 5.066709 -1.031319 -1.152795
H 6.146430 -0.186348 0.009664
H -2.974966 2.477298 1.389652
H -4.897469 1.125723 -2.261667
H -4.644216 2.834626 -0.434678


