%chk=000097286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097286

0 1
 O    5.555400      0.1555000     -9.9999997E-05
 O   -6.282600      0.2865000      2.3000001E-03
 N  -0.8056000     -0.6065000     -2.6000000E-03
 C    1.410500      0.3748000      3.0000001E-04
 C    2.170700       1.544200      1.3000000E-03
 C    2.043000     -0.8684000     -3.9999999E-04
 C    4.196300      0.2273000      8.9999998E-04
 C   -2.192700     -0.3817000     -1.8000000E-03
 C    3.563500       1.470500      1.5000000E-03
 C    3.436000     -0.9423000     -9.9999997E-05
 C  -4.1900001E-02  0.4515000     -3.0000001E-04
 C   -2.875100     -0.2685000      -1.209000    
 C   -2.873500     -0.2722000       1.207000    
 C   -4.251700     -4.3299999E-02  -1.207700    
 C   -4.250100     -4.7200002E-02   1.208400    
 C   -4.939300      6.7100003E-02  1.0000000E-03
 C    6.137000      -1.147300     -6.0000003E-04
 H    1.692200       2.520200      1.8000000E-03
 H    1.475500      -1.795300     -1.3000000E-03
 H    4.150600       2.384800      2.0000001E-03
 H    3.862500      -1.939600     -8.9999998E-04
 H  -0.4883000       1.464000      1.6000000E-03
 H   -2.347400     -0.3537000      -2.155100    
 H   -2.344300     -0.3603000       2.152000    
 H   -4.783000      4.4900000E-02  -2.151400    
 H   -4.773900      3.7000000E-02   2.156800    
 H    5.881900      -1.701400     -0.9103000    
 H    5.882200      -1.702200      0.9087000    
 H    7.224100      -1.016000     -6.9999998E-04
 H   -6.592800      0.3358000      0.9228000    


%chk=000097286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097286

0 1
O 5.667890 0.069561 0.194121
O -6.489632 -0.022391 -0.065542
N -0.838794 -0.351946 -0.232860
C 1.441779 0.398197 0.191366
C 2.288594 1.446188 0.656412
C 2.044926 -0.797277 -0.287269
C 4.268870 0.108894 0.162646
C -2.245927 -0.205865 -0.131378
C 3.685289 1.308992 0.644622
C 3.443045 -0.949693 -0.305814
C -0.015516 0.569019 0.215499
C -3.045677 -0.860400 -1.112479
C -2.905937 0.498724 0.917961
C -4.447436 -0.776559 -1.084341
C -4.312686 0.569840 0.965405
C -5.083131 -0.055886 -0.044814
C 6.329760 -1.141813 -0.299676
H 1.841144 2.376342 1.028862
H 1.387733 -1.597927 -0.641794
H 4.344323 2.107072 0.998962
H 3.879094 -1.881087 -0.679476
H -0.378094 1.541498 0.614887
H -2.534205 -1.424783 -1.898430
H -2.318944 0.956433 1.722566
H -5.064850 -1.265908 -1.843116
H -4.806816 1.098205 1.791712
H 6.090892 -1.324473 -1.365330
H 6.048156 -2.027083 0.302932
H 7.406096 -0.945080 -0.189199
H -6.840744 0.497407 0.699667


