%chk=000040431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040431

0 1
 N   -5.527800      0.2418000     -1.5799999E-02
 C   0.7551000      0.5305000      4.1000000E-03
 C    2.347600      -1.007900       1.237700    
 C    2.364900     -0.9460000      -1.281600    
 C    3.242600       1.016700      3.3100002E-02
 C   0.9424000     -0.3811000       1.240100    
 C   0.9596000     -0.3194000      -1.272300    
 C    1.834900       1.637900      3.8500000E-02
 C    2.528000      -1.841200     -4.1999999E-02
 C    3.401300      0.1117000       1.266100    
 C    3.418500      0.1732000      -1.240500    
 C  -0.6439000       1.152300      9.8000001E-03
 C   -1.723700      7.5900003E-02  1.4700000E-02
 C   -3.120200      0.7007000     -1.0700000E-02
 C   -4.206400     -0.3729000      2.9899999E-02
 C   -6.572700     -0.7723000     -1.1100000E-02
 H    2.467900      -1.650200       2.117400    
 H    2.497500      -1.544400      -2.189900    
 H    3.997000       1.810900      5.7799999E-02
 H   0.2248000      -1.207600       1.254000    
 H   0.7922000      0.1916000       2.164200    
 H   0.8237000      0.2993000      -2.168600    
 H   0.2401000      -1.141400      -1.339800    
 H    1.711400       2.261100      0.9337000    
 H    1.723100       2.304000     -0.8267000    
 H    1.792600      -2.654800     -6.7000002E-02
 H    3.520100      -2.309400     -4.6700001E-02
 H    3.293300      0.7048000       2.182600    
 H    4.408500     -0.3225000       1.284700    
 H    3.322900      0.8105000      -2.128300    
 H    4.426000     -0.2599000      -1.266500    
 H  -0.7705000       1.797600     -0.8689000    
 H  -0.7652000       1.794900      0.8913000    
 H   -1.665000     -0.5434000      0.9141000    
 H   -1.646200     -0.5833000     -0.8536000    
 H   -3.230100       1.308400     -0.9181000    
 H   -3.236700       1.376300      0.8463000    
 H   -4.099700     -0.9607000      0.9496000    
 H   -4.076200      -1.052800     -0.8211000    
 H   -5.612900      0.8093000     -0.8587000    
 H   -6.501700      -1.427400     -0.8856000    
 H   -7.552600     -0.2856000     -3.4800000E-02
 H   -6.530400      -1.381400      0.8977000    


%chk=000040431-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040431

0 1
N -5.677431 0.306958 0.004309
C 0.784867 0.418077 0.007846
C 2.519912 -0.986349 1.263609
C 2.519458 -0.964003 -1.272754
C 3.265070 1.088431 0.013329
C 1.058175 -0.461497 1.265778
C 1.057463 -0.439865 -1.265015
C 1.800807 1.602783 0.018041
C 2.758271 -1.839872 -0.012163
C 3.505081 0.212417 1.273406
C 3.504543 0.234765 -1.262092
C -0.659359 0.994601 0.014980
C -1.817123 -0.030088 -0.021031
C -3.206573 0.645496 0.020166
C -4.364391 -0.369601 -0.036956
C -6.836262 -0.603881 -0.028845
H 2.686344 -1.610738 2.164300
H 2.685647 -1.572614 -2.184273
H 3.959414 1.952442 0.020881
H 0.360316 -1.322066 1.291588
H 0.871602 0.136862 2.182072
H 0.869287 0.173400 -2.171250
H 0.360291 -1.300448 -1.304061
H 1.623786 2.231170 0.915625
H 1.623877 2.246543 -0.868654
H 2.074480 -2.713072 -0.019774
H 3.794129 -2.235695 -0.015912
H 3.356011 0.817747 2.190566
H 4.551433 -0.154212 1.289273
H 3.355196 0.856142 -2.168462
H 4.550881 -0.131539 -1.284758
H -0.766063 1.677947 -0.855582
H -0.776502 1.627775 0.921037
H -1.734319 -0.726016 0.837857
H -1.745045 -0.649862 -0.937316
H -3.294519 1.353009 -0.832836
H -3.311959 1.248797 0.942794
H -4.303207 -1.045497 0.840411
H -4.240972 -1.018467 -0.944502
H -5.741452 1.039004 -0.716206
H -6.856030 -1.295964 -0.907988
H -7.772991 -0.018436 -0.031036
H -6.838045 -1.230779 0.882700


