%chk=000045814.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045814

1 1
 N    1.081100      0.1521000      0.3565000    
 C    1.574400       1.256700     -0.5739000    
 C    1.829600      -1.132600      7.3000002E-03
 C  -0.4328000      4.1999999E-03  0.1860000    
 C    1.379600      0.4953000       1.813100    
 C    1.275300      0.8722000      -2.006400    
 C    3.316200     -0.9035000      0.1715000    
 C   -1.190900       1.087900      0.4790000    
 C  -0.8869000      -1.197400     -0.2433000    
 C   -2.570600      0.9534000      0.3238000    
 C   -2.266500      -1.331900     -0.3986000    
 C   -3.108400     -0.2565000     -0.1150000    
 H    1.060000       2.188200     -0.3128000    
 H    2.635600       1.453900     -0.4016000    
 H    1.517300      -1.912000      0.7143000    
 H    1.611900      -1.457900      -1.013800    
 H    1.168000     -0.3801000       2.435200    
 H    2.420100      0.8116000       1.915300    
 H   0.7648000       1.339400       2.136900    
 H    1.499400       1.735400      -2.645400    
 H    1.914600      6.7299999E-02  -2.378500    
 H   0.2312000      0.6192000      -2.204700    
 H    3.821300      -1.860200     -1.7100001E-02
 H    3.747400     -0.2152000     -0.5587000    
 H    3.628500     -0.6165000       1.177100    
 H  -0.8032000       2.040900      0.8171000    
 H  -0.2995000      -2.074100     -0.4744000    
 H   -3.226500       1.790800      0.5434000    
 H   -2.686800      -2.274000     -0.7387000    
 H   -4.182600     -0.3613000     -0.2358000    


%chk=000045814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045814

1 1
N 1.098664 0.164811 0.352658
C 1.586346 1.318568 -0.578253
C 1.883181 -1.140564 0.040242
C -0.415084 -0.036119 0.182973
C 1.371079 0.562971 1.809127
C 1.392383 1.038505 -2.069897
C 3.409454 -1.030820 0.129399
C -1.260203 1.072683 0.425500
C -0.958924 -1.285769 -0.182892
C -2.657102 0.926265 0.294408
C -2.361915 -1.419328 -0.308606
C -3.213656 -0.320222 -0.072868
H 1.021493 2.212677 -0.271288
H 2.646073 1.487592 -0.326639
H 1.510724 -1.891329 0.757209
H 1.584161 -1.445480 -0.974192
H 1.034668 -0.252986 2.465950
H 2.446247 0.748345 1.942669
H 0.809922 1.476644 2.046134
H 1.657894 1.953883 -2.627125
H 2.044468 0.232131 -2.445187
H 0.343938 0.797353 -2.312961
H 3.819630 -2.029649 -0.103479
H 3.841025 -0.332762 -0.606719
H 3.776428 -0.767291 1.134669
H -0.865420 2.052794 0.713118
H -0.339332 -2.163631 -0.373625
H -3.306111 1.786959 0.481747
H -2.780953 -2.389622 -0.592021
H -4.297478 -0.431308 -0.172251


