%chk=000044623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044623

0 1
 N  -0.2872000       1.406800      2.5800001E-02
 N    4.497900      0.1977000      1.0000000E-03
 C   -1.037300     -0.6909000     -1.0800000E-02
 C   -1.413700      0.6359000      8.2000000E-03
 C   -2.032200      -1.800700     -4.8300002E-02
 C   -2.805300       1.157500      3.8199998E-02
 C   -3.438000      -1.301500      0.3391000    
 C   -3.788700      3.4899998E-02 -0.3425000    
 C   0.3856000     -0.7291000     -1.3200000E-02
 C   0.8292000      0.5979000      1.1200000E-02
 C    1.344100      -1.762500     -3.5799999E-02
 C  -0.2630000       2.854300      4.6500001E-02
 C    2.186800      0.9386000      1.6799999E-02
 C    3.117200     -0.1042000     -5.1000002E-03
 C    2.704600      -1.434600     -3.1099999E-02
 H   -2.061500      -2.212100      -1.064700    
 H   -1.732400      -2.610200      0.6262000    
 H   -3.034900       1.513900       1.049300    
 H   -2.934500       1.997200     -0.6532000    
 H   -4.180600      -2.062400      7.3700003E-02
 H   -3.490500      -1.168700       1.427500    
 H   -4.807500      0.3360000     -7.3799998E-02
 H   -3.774500     -0.1091000      -1.430700    
 H    1.037700      -2.804500     -5.6299999E-02
 H  -0.1378000       3.205400     -0.9807000    
 H   -1.193800       3.238000      0.4697000    
 H   0.5662000       3.192600      0.6729000    
 H    2.508700       1.975100      3.3000000E-02
 H    3.437100      -2.238600     -4.7899999E-02
 H    4.804700       1.161200      1.7400000E-02
 H    5.179100     -0.5495000     -1.7300000E-02


%chk=000044623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044623

0 1
N -0.278341 1.450234 0.024397
N 4.543029 0.187715 -0.022136
C -1.064457 -0.706596 -0.027927
C -1.440879 0.635188 0.004652
C -2.066471 -1.837776 -0.038067
C -2.854442 1.152735 0.024351
C -3.467105 -1.319092 0.384619
C -3.828483 -0.001435 -0.345664
C 0.385494 -0.747454 -0.037357
C 0.847726 0.616780 -0.002613
C 1.355523 -1.780933 -0.065530
C -0.227377 2.908121 0.080378
C 2.216130 0.962962 0.003337
C 3.167147 -0.091003 -0.026079
C 2.723733 -1.455848 -0.059932
H -2.130408 -2.293601 -1.049257
H -1.745257 -2.649983 0.644511
H -3.116121 1.552190 1.028271
H -2.992415 1.990639 -0.690044
H -4.234434 -2.088733 0.173821
H -3.476362 -1.139559 1.478647
H -4.865152 0.300490 -0.102471
H -3.785574 -0.174554 -1.439404
H 1.047983 -2.832950 -0.093160
H 0.277279 3.327274 -0.811860
H -1.249690 3.315126 0.121556
H 0.316651 3.253328 0.980922
H 2.547330 2.008066 0.029275
H 3.475485 -2.255016 -0.081956
H 4.882459 1.143846 0.001468
H 5.222500 -0.565762 -0.041650


