%chk=000028807.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028807

0 1
 O   -1.972700     -0.6537000       1.063100    
 O   -2.412900      0.1492000      -1.075100    
 O    4.446800     -0.9470000     -0.6125000    
 N   -3.964500      0.3166000      0.6401000    
 N    2.673400      0.2990000      0.3036000    
 C   -5.017600      0.9798000     -0.1073000    
 C   -6.216300       1.226200      0.8161000    
 C   -4.489200       2.316100     -0.6390000    
 C   -5.446400      8.8399999E-02  -1.278500    
 C   -2.756100     -4.0300000E-02  8.8100001E-02
 C  -0.7165000      -1.056200      0.5991000    
 C   0.3349000     -0.1720000      0.6881000    
 C    1.587900     -0.5741000      0.2254000    
 C  -0.5818000      -2.320900      7.2099999E-02
 C    1.756000      -1.849500     -0.3139000    
 C   0.6713000      -2.722900     -0.3904000    
 C    3.994900      7.2700001E-02 -0.1051000    
 C    4.861600       1.261700      0.1495000    
 C    6.161600       1.237700     -0.1745000    
 C    7.085700       2.389500      5.1199999E-02
 H   -5.934600       1.853300       1.670000    
 H   -7.033700       1.727400      0.2860000    
 H   -6.604700      0.2837000       1.219600    
 H   -3.696500       2.198300      -1.383800    
 H   -4.086500       2.932500      0.1734000    
 H   -5.291900       2.887100      -1.120400    
 H   -5.738900     -0.9086000     -0.9284000    
 H   -6.306900      0.5214000      -1.801900    
 H   -4.657700     -4.6000000E-02  -2.024900    
 H   -4.119000      0.1002000       1.620500    
 H   0.1893000      0.8179000       1.111500    
 H   -1.426100      -3.000500      1.3300000E-02
 H    2.692800      -2.233300     -0.6924000    
 H   0.8008000      -3.716400     -0.8100000    
 H    2.460900       1.207700      0.7104000    
 H    4.416900       2.142300      0.6010000    
 H    6.604700      0.3546000     -0.6266000    
 H    7.514000       2.715400     -0.9016000    
 H    7.904500       2.086100      0.7107000    
 H    6.579000       3.245500      0.5080000    


%chk=000028807-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028807

0 1
O -2.134584 -1.076384 0.442554
O -2.041797 1.194100 -0.305248
O 4.628449 -1.064089 0.387187
N -4.055809 0.042366 0.104154
N 2.626730 0.116153 0.000425
C -5.037033 1.120611 -0.236810
C -6.440199 0.508685 -0.012116
C -4.826860 2.338919 0.699754
C -4.864399 1.538334 -1.720466
C -2.694388 0.176189 0.039325
C -0.740308 -1.351689 0.515454
C 0.284574 -0.436581 0.204133
C 1.639652 -0.853103 0.327184
C -0.446713 -2.666822 0.944160
C 1.958451 -2.168466 0.755510
C 0.902834 -3.056035 1.057844
C 4.023345 -0.002005 0.037866
C 4.731887 1.247443 -0.373471
C 6.091531 1.306566 -0.390449
C 6.912592 2.505031 -0.783240
H -6.577122 0.198887 1.040973
H -7.216609 1.255788 -0.248769
H -6.603624 -0.368135 -0.666551
H -3.811704 2.750940 0.576227
H -4.964270 2.047168 1.756597
H -5.558869 3.130316 0.457477
H -5.032264 0.676071 -2.390736
H -5.593849 2.327695 -1.976799
H -3.848551 1.929484 -1.895681
H -4.409353 -0.867089 0.406579
H 0.029356 0.573768 -0.124005
H -1.267695 -3.350360 1.177165
H 3.003807 -2.466511 0.843303
H 1.140737 -4.072626 1.388921
H 2.260717 1.023386 -0.298648
H 4.133372 2.123477 -0.663117
H 6.627296 0.393849 -0.088666
H 7.578780 2.260892 -1.633822
H 7.573271 2.815979 0.049666
H 6.285118 3.366697 -1.069359


