%chk=000068314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068314

0 1
 O   0.7818000     -0.8215000      1.2000001E-03
 N  -0.8091000      0.8671000      3.9999999E-04
 N   -4.496800      0.7331000     -3.0000001E-04
 C    3.133800     -0.3731000     -1.9900000E-02
 C    4.213800      0.7049000     -5.9000002E-03
 C    1.736700      0.2307000      3.0000001E-04
 C    5.607200      9.7300000E-02  1.7600000E-02
 C  -0.5397000     -0.4574000      1.0000000E-03
 C   -1.509500      -1.446700      1.9000000E-03
 C   -2.842500      -1.050900      1.9000000E-03
 C   -3.159900      0.3029000      1.2000001E-03
 C   -2.115800       1.213700      6.0000003E-04
 H    3.243600      -1.009900     -0.9067000    
 H    3.251900      -1.039700      0.8437000    
 H    4.088900       1.346800      0.8739000    
 H    4.113500       1.344100     -0.8907000    
 H    1.617100      0.8437000      0.9024000    
 H    1.601600      0.8603000     -0.8882000    
 H    5.751000     -0.5207000      0.9097000    
 H    5.777300     -0.5278000     -0.8649000    
 H    6.365100      0.8869000      2.5800001E-02
 H   -1.245100      -2.498400      2.4999999E-03
 H   -3.624500      -1.805500      2.2000000E-03
 H   -2.299200       2.283900     -3.0000001E-04
 H   -5.247600      5.5599999E-02  2.2000000E-03
 H   -4.711800       1.721200      1.3000000E-03


%chk=000068314-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068314

0 1
O 0.785361 -0.776569 0.002586
N -0.890451 0.916230 0.002707
N -4.606421 0.682478 -0.003448
C 3.163610 -0.349553 -0.000651
C 4.309048 0.689356 0.001544
C 1.786539 0.316930 0.004113
C 5.705023 0.030096 0.002860
C -0.558099 -0.394929 0.001169
C -1.524953 -1.434659 -0.001853
C -2.883223 -1.083322 -0.003308
C -3.264097 0.294522 -0.001824
C -2.211926 1.250561 0.001178
H 3.247795 -1.000469 -0.892570
H 3.250510 -1.007361 0.885948
H 4.209939 1.346861 0.889415
H 4.212175 1.347999 -0.885701
H 1.632664 0.949183 0.899994
H 1.628908 0.955326 -0.886675
H 5.840884 -0.607637 0.896521
H 5.841505 -0.609944 -0.889085
H 6.509479 0.788267 0.002104
H -1.199401 -2.478092 -0.002985
H -3.651177 -1.866036 -0.005637
H -2.439266 2.324593 0.002502
H -5.350303 -0.008237 -0.004390
H -4.862325 1.665006 -0.001614


