%chk=000060222.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060222

0 1
 O   -4.244400       1.796000      0.2808000    
 N   0.1657000      -1.599700      0.5084000    
 C   -4.509000     -0.8687000     -0.9202000    
 C   -3.259900     -0.3769000     -0.2464000    
 C   -5.697100      3.3000000E-03 -0.5379000    
 C  -0.9639000     -0.7574000      0.4422000    
 C   -3.194800      0.9129000      0.2980000    
 C   -5.293400       1.465900     -0.6356000    
 C   -2.130200      -1.203100     -0.1807000    
 C    1.484400      -1.041900      0.7332000    
 C    2.135600     -0.6296000     -0.5861000    
 C  -0.9154000      0.5177000       1.001600    
 C   -2.029800       1.352200      0.9323000    
 C   2.4100000E-02  -3.031900      0.3386000    
 C    3.495000      5.0000002E-04 -0.4041000    
 C    3.591100       1.373200     -0.2370000    
 C    4.623400     -0.8044000     -0.4076000    
 C    4.847300       1.955700     -6.9200002E-02
 C    5.879700     -0.2220000     -0.2397000    
 C    5.991600       1.158100     -7.0600003E-02
 H   -4.357000     -0.8358000      -2.005800    
 H   -4.715800      -1.907300     -0.6379000    
 H   -5.995800     -0.2224000      0.4938000    
 H   -6.550800     -0.2114000      -1.189100    
 H   -2.193500      -2.189200     -0.6329000    
 H   -4.976200       1.730200      -1.652100    
 H   -6.150500       2.100500     -0.3869000    
 H    1.512800     -0.2336000       1.468600    
 H    2.120900      -1.809200       1.196800    
 H    1.486600      7.4000001E-02  -1.124700    
 H    2.222300      -1.500100      -1.250400    
 H  -5.1300000E-02  0.9197000       1.515800    
 H   -1.984200       2.345300       1.371600    
 H   0.9390000      -3.564000      0.6227000    
 H  -0.7790000      -3.431400      0.9682000    
 H  -0.1759000      -3.283400     -0.7085000    
 H    2.705300       2.002000     -0.2320000    
 H    4.545900      -1.880100     -0.5367000    
 H    4.934500       3.030200      6.3199997E-02
 H    6.770700     -0.8430000     -0.2401000    
 H    6.969800       1.611500      6.0500000E-02


%chk=000060222-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060222

0 1
O -4.283591 1.900090 -0.013723
N 0.172492 -1.608017 0.449158
C -4.706666 -0.991842 -0.594197
C -3.351730 -0.412930 -0.195800
C -5.853511 -0.022490 -0.228200
C -0.936506 -0.745137 0.310657
C -3.212989 0.973837 0.066263
C -5.493709 1.396791 -0.695828
C -2.215219 -1.245952 -0.073344
C 1.526098 -1.074448 0.646117
C 2.191673 -0.524699 -0.661251
C -0.836330 0.659967 0.568590
C -1.958861 1.496374 0.451290
C 0.037789 -3.017846 0.069845
C 3.572316 0.043641 -0.386900
C 3.737266 1.407831 -0.028875
C 4.723280 -0.786962 -0.420505
C 5.012935 1.928073 0.285044
C 6.001374 -0.271890 -0.107743
C 6.150958 1.088941 0.247841
H -4.724981 -1.184910 -1.686857
H -4.858005 -1.970996 -0.102255
H -6.010046 -0.008064 0.866884
H -6.802824 -0.338684 -0.700094
H -2.346603 -2.313806 -0.277682
H -5.316862 1.409380 -1.792221
H -6.276939 2.131018 -0.446422
H 1.512686 -0.273869 1.408699
H 2.164406 -1.877801 1.058579
H 1.527426 0.249395 -1.087590
H 2.247798 -1.351498 -1.394621
H 0.115009 1.108428 0.868129
H -1.877425 2.569524 0.651969
H 0.997617 -3.532345 0.241521
H -0.730587 -3.528340 0.684069
H -0.238539 -3.153666 -0.998879
H 2.860399 2.067983 -0.008819
H 4.616663 -1.842006 -0.704336
H 5.120785 2.985394 0.553050
H 6.879199 -0.927286 -0.145375
H 7.141556 1.491215 0.487909


