%chk=000034269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034269

0 1
 O  -0.1252000      0.3845000       1.879200    
 N    1.316300     -1.3100000E-02  0.1065000    
 C    1.638500     -0.8772000      -1.026800    
 C    2.438000      0.7463000      0.6452000    
 C    2.062400      -2.282700     -0.5864000    
 C    2.593400       2.114300     -2.8400000E-02
 C   5.0400000E-02  0.1225000      0.6864000    
 C   -1.139300     -7.2400004E-02 -0.2446000    
 C   -2.480300      9.3500003E-02  0.4724000    
 C   -3.653200     -7.0799999E-02 -0.4952000    
 C   0.9235000      -2.958400      0.1781000    
 C    3.323300      -2.246500      0.2801000    
 C    1.337000       2.955900      0.1983000    
 C    2.866300       1.977500      -1.528000    
 C   -4.992000      0.1282000      0.2145000    
 C   -6.159000     -1.6000000E-03 -0.7512000    
 H   0.7750000     -0.9522000      -1.693600    
 H    2.447500     -0.4569000      -1.624100    
 H    2.283200      0.8936000       1.720700    
 H    3.377800      0.2063000      0.5357000    
 H    2.277400      -2.872600      -1.486100    
 H    3.444900       2.626800      0.4361000    
 H   -1.106400      -1.075100     -0.6767000    
 H   -1.055400      0.6550000      -1.060100    
 H   -2.561300     -0.6433000       1.281300    
 H   -2.526500       1.084800      0.9404000    
 H   -3.559500      0.6565000      -1.310900    
 H   -3.620600      -1.069400     -0.9477000    
 H    1.198700      -3.992800      0.4152000    
 H   1.2700000E-02  -3.004000     -0.4259000    
 H   0.6980000      -2.466400       1.128500    
 H    3.142000      -1.825000       1.273300    
 H    4.134100      -1.703800     -0.2160000    
 H    3.683000      -3.269700      0.4426000    
 H    1.515500       3.985600     -0.1320000    
 H    1.071300       2.997500       1.259700    
 H   0.4755000       2.589000     -0.3670000    
 H    1.994300       1.624800      -2.086900    
 H    3.723100       1.323900      -1.719800    
 H    3.120100       2.960300      -1.943100    
 H   -5.102300     -0.6120000       1.015500    
 H   -5.022700       1.119300      0.6820000    
 H   -6.176300     -0.9933000      -1.214600    
 H   -6.096000      0.7484000      -1.546200    
 H   -7.106400      0.1429000     -0.2225000    


%chk=000034269-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034269

0 1
O -0.201287 1.054202 1.612631
N 1.255236 0.122354 0.053532
C 1.544748 -0.804168 -1.067873
C 2.391635 0.811936 0.726692
C 1.934585 -2.275044 -0.699065
C 2.791510 2.199034 0.135286
C -0.030208 0.367902 0.553248
C -1.236661 -0.157264 -0.246658
C -2.580774 0.240128 0.396080
C -3.791516 -0.266389 -0.418237
C 0.821096 -3.034644 0.057559
C 3.275381 -2.391588 0.066534
C 1.631959 3.220900 0.163485
C 3.408063 2.111565 -1.282497
C -5.147465 0.117023 0.217810
C -6.359769 -0.381303 -0.598043
H 0.666330 -0.837224 -1.736663
H 2.375469 -0.374783 -1.656812
H 2.098186 0.953583 1.781860
H 3.271492 0.147679 0.693608
H 2.075627 -2.770622 -1.685262
H 3.586631 2.566868 0.820919
H -1.187091 -1.257198 -0.345893
H -1.186222 0.247306 -1.279674
H -2.622107 -0.159298 1.427029
H -2.625771 1.340334 0.500218
H -3.746197 0.143177 -1.450076
H -3.738778 -1.371515 -0.520270
H 1.158624 -4.055683 0.314561
H -0.098068 -3.130479 -0.549474
H 0.564177 -2.519361 1.001695
H 3.180196 -2.018530 1.102505
H 4.085694 -1.828615 -0.434307
H 3.588302 -3.450644 0.125287
H 1.985405 4.216693 -0.164458
H 1.196296 3.308345 1.172907
H 0.819851 2.908186 -0.519257
H 2.645582 1.829783 -2.032962
H 4.232316 1.373724 -1.328616
H 3.816850 3.093554 -1.585474
H -5.195554 -0.296059 1.245843
H -5.198900 1.219604 0.325095
H -6.346460 -1.483629 -0.695037
H -6.352373 0.044477 -1.619505
H -7.315242 -0.096117 -0.120372


