%chk=000178542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178542

0 1
 N   -1.902100     -0.2472000     -0.7739000    
 N   -3.585000      -1.017700      -2.011200    
 N   -4.964700      -1.786700     -0.1631000    
 N   -3.974600      -1.404100       2.033500    
 N   -1.843300     -0.3651000       2.318300    
 C    1.717800      0.1326000     -0.1118000    
 C   0.4678000     -0.4560000     -0.4013000    
 C    1.816800       1.535000      9.0800002E-02
 C    2.867100     -0.7032000     -2.8100001E-02
 C  -0.6718000      0.3485000     -0.4876000    
 C   0.6347000       2.349200     -1.3000000E-03
 C  -0.6070000       1.732000     -0.2933000    
 C    2.756600      -2.100300     -0.2318000    
 C    4.131500     -0.1454000      0.2598000    
 C   0.3756000      -1.840200     -0.6001000    
 C    3.102700       2.048200      0.3765000    
 C    1.504700      -2.652500     -0.5168000    
 C    4.233000       1.230900      0.4594000    
 C   0.6180000       3.755400      0.1826000    
 C   -1.781500       2.498900     -0.3902000    
 C   -2.814300     -0.7398000      0.1125000    
 C    3.899700      -2.908600     -0.1455000    
 C    5.259100     -0.9763000      0.3405000    
 C   -2.405300     -0.4349000      -2.032400    
 C    5.142700      -2.349000      0.1389000    
 C  -0.5564000       4.506300      8.3600000E-02
 C   -1.757300       3.877300     -0.2031000    
 C   -3.851400      -1.213100     -0.6800000    
 C   -2.875400     -0.8359000       1.488900    
 C   -4.937800      -1.838300       1.186000    
 H  -0.5609000      -2.343400     -0.8249000    
 H    3.260100       3.110700      0.5440000    
 H    1.393400      -3.723000     -0.6772000    
 H    5.193700       1.690400      0.6829000    
 H    1.528700       4.303900      0.4095000    
 H   -2.753600       2.067000     -0.6120000    
 H    3.831800      -3.983500     -0.2993000    
 H    6.239700     -0.5601000      0.5616000    
 H   -1.875600     -0.1302000      -2.925600    
 H    6.021700      -2.983700      0.2036000    
 H   -2.672700       4.455700     -0.2812000    
 H  -0.5260000       5.581900      0.2317000    
 H   -5.805400      -2.288600       1.656100    
 H   -1.008500      6.3699998E-02   1.951500    
 H   -1.948900     -0.4652000       3.319300    


%chk=000178542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178542

0 1
N -1.951139 -0.256084 -0.787293
N -3.701911 -1.041584 -2.057639
N -5.110921 -1.837288 -0.168634
N -4.117372 -1.474759 2.052750
N -2.023512 -0.465307 2.410900
C 1.759943 0.137001 -0.119827
C 0.470978 -0.475372 -0.404463
C 1.865103 1.555800 0.071310
C 2.930631 -0.698876 -0.035590
C -0.675065 0.345439 -0.484448
C 0.674682 2.386582 -0.016159
C -0.606739 1.769079 -0.298295
C 2.828909 -2.125066 -0.227366
C 4.218620 -0.115777 0.241581
C 0.399419 -1.912780 -0.593460
C 3.169049 2.108900 0.346394
C 1.528581 -2.699332 -0.507714
C 4.298306 1.309352 0.428466
C 0.707968 3.807811 0.164115
C -1.784014 2.586833 -0.384408
C -2.903825 -0.771199 0.114529
C 3.994844 -2.926026 -0.138824
C 5.368245 -0.954637 0.322497
C -2.497470 -0.452947 -2.069129
C 5.255158 -2.343900 0.134297
C -0.450913 4.583235 0.074965
C -1.709363 3.967101 -0.201482
C -3.983829 -1.255542 -0.691859
C -2.992017 -0.893010 1.530935
C -5.094922 -1.906038 1.188597
H -0.573433 -2.364885 -0.806462
H 3.278783 3.186103 0.494430
H 1.458052 -3.783483 -0.652363
H 5.276097 1.758017 0.638425
H 1.657042 4.307560 0.375592
H -2.745952 2.111322 -0.596742
H 3.911437 -4.008965 -0.285474
H 6.344285 -0.502933 0.533407
H -1.960581 -0.140749 -2.962817
H 6.144896 -2.978856 0.198604
H -2.614019 4.580093 -0.269534
H -0.395892 5.667694 0.216999
H -5.969152 -2.361866 1.663361
H -1.165387 -0.022641 2.092560
H -2.196197 -0.602421 3.405065


