%chk=000031447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031447

0 1
 O   -4.021900     -0.9787000      0.5866000    
 N   -1.320300       1.131800     -0.2337000    
 N   -3.935800       1.302100      0.3632000    
 C    3.040200      1.2000000E-02  0.3051000    
 C    2.167700     -0.1031000     -0.9467000    
 C    4.524800      5.5300001E-02 -5.6600001E-02
 C   0.6999000     -0.1107000     -0.6042000    
 C    5.395600      0.2106000       1.180000    
 C   4.9100000E-02  -1.302100     -0.3546000    
 C  -4.1000000E-03   1.068800     -0.5362000    
 C   -1.305100      -1.278000     -4.0100001E-02
 C   -1.938100     -4.6300001E-02  7.1000000E-03
 C   -3.352000      3.8199998E-02  0.3301000    
 H    2.848900     -0.8364000      0.9742000    
 H    2.773300      0.9193000      0.8621000    
 H    2.420400      -1.016800      -1.500000    
 H    2.377400      0.7289000      -1.631400    
 H    4.806200     -0.8639000     -0.5835000    
 H    4.718400      0.8923000     -0.7376000    
 H    5.249100     -0.6263000       1.870300    
 H    5.161700       1.139000       1.710700    
 H    6.452800      0.2375000      0.8982000    
 H   0.5744000      -2.251500     -0.3978000    
 H   0.4659000       2.028900     -0.7227000    
 H   -1.827400      -2.207800      0.1583000    
 H   -3.407100       2.145700      0.1651000    
 H   -4.918100       1.417200      0.5897000    


%chk=000031447-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031447

0 1
O -4.102395 -1.042190 0.751858
N -1.416833 1.144422 -0.344117
N -4.027109 1.256821 0.303704
C 3.079782 0.023942 0.284847
C 2.184546 0.005384 -0.987176
C 4.588020 0.067727 -0.048556
C 0.705670 -0.050567 -0.654952
C 5.474826 0.087688 1.215123
C 0.069472 -1.260547 -0.271251
C -0.097406 1.121337 -0.674827
C -1.297167 -1.258615 0.072856
C -2.003956 -0.036109 0.027476
C -3.471989 0.001619 0.395491
H 2.861002 -0.872939 0.899027
H 2.809853 0.900606 0.907230
H 2.466567 -0.869606 -1.605976
H 2.402207 0.908241 -1.590476
H 4.849951 -0.810381 -0.673645
H 4.800179 0.964147 -0.666257
H 5.302062 -0.811985 1.835031
H 5.254323 0.973132 1.840345
H 6.548408 0.117229 0.954004
H 0.643179 -2.194653 -0.248999
H 0.341044 2.082309 -0.971841
H -1.836364 -2.161714 0.372124
H -3.422427 2.026122 0.004226
H -5.009547 1.394579 0.530333


