%chk=000138879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138879

0 1
 O    4.054000      -1.709300      3.1000001E-03
 O    5.058200      0.4808000      5.5000000E-02
 N  -0.6524000      0.4258000      -2.731600    
 C    3.135400     -0.7238000      0.1960000    
 C   0.9895000      0.2353000      0.5415000    
 C    3.708800      0.5267000      0.2256000    
 C    1.776100     -0.9032000      0.3509000    
 C    1.575500       1.513100      0.5717000    
 C    2.954700       1.666900      0.4120000    
 C  -0.4492000      9.9100001E-02  0.7100000    
 C    5.270000     -0.9387000     -8.6000003E-02
 C   -1.389900      0.1187000     -0.2679000    
 C   -2.830600     -3.5799999E-02  1.2700000E-02
 C   -3.385000      -1.304200      2.3499999E-02
 C   -3.596200       1.091000      0.2589000    
 C   -4.746700      -1.450200      0.2886000    
 C   -4.957800      0.9450000      0.5242000    
 C   -5.533000     -0.3256000      0.5392000    
 C  -0.9813000      0.2884000      -1.627200    
 H    1.342500      -1.897800      0.3252000    
 H   0.9612000       2.398600      0.7207000    
 H    3.410400       2.650300      0.4351000    
 H  -0.7633000     -3.3100002E-02   1.744400    
 H    5.735500      -1.129100      -1.059900    
 H    5.954700      -1.271400      0.7025000    
 H   -2.783300      -2.188200     -0.1699000    
 H   -3.160000       2.086400      0.2503000    
 H   -5.194700      -2.439400      0.3002000    
 H   -5.570200       1.820600      0.7193000    
 H   -6.593100     -0.4394000      0.7457000    


%chk=000138879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138879

0 1
O 4.257561 -1.787484 0.789198
O 5.237552 0.185959 -0.167703
N -1.267180 3.117226 -0.987059
C 3.250632 -0.863456 0.414967
C 1.032144 0.057088 0.062901
C 3.831680 0.293953 -0.149350
C 1.874283 -1.013054 0.532205
C 1.641410 1.218759 -0.507255
C 3.045871 1.350315 -0.621973
C -0.409103 -0.150133 0.212313
C 5.548065 -1.096104 0.529598
C -1.501534 0.653888 -0.074802
C -2.911197 0.203775 0.138241
C -3.250993 -1.177046 0.218314
C -3.958071 1.160380 0.261193
C -4.582130 -1.581809 0.442684
C -5.290169 0.753483 0.482932
C -5.610658 -0.619563 0.580772
C -1.348587 1.995584 -0.573693
H 1.441990 -1.917854 0.969740
H 1.019961 2.039122 -0.869641
H 3.497951 2.242206 -1.062082
H -0.663045 -1.125953 0.647930
H 6.166261 -1.721764 -0.133583
H 6.038481 -0.867286 1.492668
H -2.482786 -1.944361 0.072045
H -3.725252 2.228810 0.190255
H -4.821042 -2.649893 0.493996
H -6.077008 1.509576 0.579079
H -6.645285 -0.936865 0.749908


