%chk=000043051.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043051

0 1
 O    1.061200      0.2734000     -0.7589000    
 O   0.4314000      -2.172100     -0.3863000    
 N   -1.668300      -2.778300      0.3081000    
 C    2.123500      0.8132000      2.4400000E-02
 C    3.317000     -0.1267000     -5.1199999E-02
 C  -0.2096000      0.5762000     -0.3708000    
 C   -1.109700     -0.4295000     -1.8800000E-02
 C    4.486500      0.3779000      0.7747000    
 C  -0.6055000       1.912900     -0.3277000    
 C   -2.405900     -9.8399997E-02  0.3763000    
 C   -1.901600       2.244200      6.7500003E-02
 C   -2.801800       1.238500      0.4194000    
 C  -0.7171000      -1.831300     -5.6699999E-02
 H    1.813600      0.9304000       1.071000    
 H    2.391800       1.798100     -0.3747000    
 H    3.023500      -1.124500      0.2959000    
 H    3.623300     -0.2494000      -1.096900    
 H    4.212000      0.4671000       1.830600    
 H    5.330200     -0.3154000      0.7008000    
 H    4.821200       1.358800      0.4223000    
 H   8.1200004E-02   2.707200     -0.6073000    
 H   -3.160600     -0.8197000      0.6643000    
 H   -2.210600       3.284800      9.9299997E-02
 H   -3.810900       1.497800      0.7267000    
 H   -2.621100      -2.593400      0.5927000    
 H   -1.415600      -3.761700      0.2965000    


%chk=000043051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043051

0 1
O 1.036182 -0.170049 0.167202
O -0.343604 -2.536535 1.385516
N -1.760310 -2.830233 -0.430777
C 2.199070 0.738708 0.183068
C 3.448958 -0.144548 0.189538
C -0.243082 0.379085 0.238522
C -1.321937 -0.551837 0.319920
C 4.741562 0.700309 0.212980
C -0.510443 1.771374 0.192984
C -2.648925 -0.060725 0.329520
C -1.844220 2.236148 0.216946
C -2.920837 1.325773 0.280461
C -1.070287 -2.035839 0.480444
H 2.158151 1.377555 1.089945
H 2.177232 1.392207 -0.715161
H 3.404889 -0.811166 1.069834
H 3.430759 -0.794659 -0.704766
H 4.788774 1.340774 1.113848
H 5.632469 0.048049 0.219273
H 4.812419 1.357264 -0.674596
H 0.309182 2.492522 0.130825
H -3.475853 -0.775446 0.413813
H -2.036679 3.314411 0.184498
H -3.954108 1.686199 0.303620
H -2.261286 -2.425695 -1.219802
H -1.669972 -3.843546 -0.356456


