%chk=000083947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083947

0 1
 O    1.080300      0.6087000     -0.9052000    
 O    1.542600     -0.5302000       1.084400    
 O    6.619500     -0.7213000       1.071900    
 O    6.139100      0.1871000     -0.9584000    
 O   -5.038400      -1.610400     -0.4986000    
 N   -4.293500      0.4145000      0.4519000    
 C    3.334700      0.1225000     -0.4344000    
 C    4.340300     -0.4366000      0.5692000    
 C  -0.2728000      0.5591000     -0.5624000    
 C   -2.941700      0.4632000      0.1099000    
 C    1.902600      6.2000002E-03  4.5299999E-02
 C   -1.021200     -0.5205000     -0.9766000    
 C  -0.8068000       1.592600      0.1750000    
 C   -2.373000     -0.5690000     -0.6361000    
 C   -2.158700       1.544000      0.5155000    
 C    5.770400     -0.2708000      0.1126000    
 C   -5.229700     -0.5801000      0.1393000    
 C   -6.593800     -0.2589000      0.6963000    
 H    3.422400     -0.4156000      -1.385300    
 H    3.549000       1.182600     -0.6147000    
 H    4.151500      -1.504700      0.7267000    
 H    4.225900      8.0499999E-02   1.529100    
 H  -0.5776000      -1.322600      -1.558200    
 H  -0.1975000       2.434100      0.4895000    
 H   -2.914400      -1.436800     -0.9861000    
 H   -2.588500       2.355500       1.097300    
 H   -4.632300       1.204800      0.9967000    
 H   -6.543800     -0.2055000       1.787500    
 H   -7.304200      -1.039600      0.4106000    
 H   -6.941200      0.6988000      0.2987000    
 H    7.558000     -0.6310000      0.8012000    


%chk=000083947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083947

0 1
O 1.094142 -0.280213 -0.420480
O 2.080261 0.725509 1.467236
O 7.082564 0.558882 0.167146
O 6.114269 -1.498607 -0.298870
O -5.420249 -0.741942 -1.381119
N -4.474735 0.293212 0.503396
C 3.468882 -0.326873 -0.284092
C 4.682942 0.444002 0.260573
C -0.288106 -0.088647 -0.095351
C -3.080200 0.139070 0.256512
C 2.176422 0.119741 0.377148
C -1.169271 -0.617974 -1.062202
C -0.784596 0.560857 1.059252
C -2.562391 -0.510425 -0.897714
C -2.180385 0.665986 1.219910
C 5.981556 -0.291276 0.001379
C -5.551964 -0.129098 -0.280962
C -6.926892 0.207580 0.293291
H 3.601267 -1.410062 -0.091346
H 3.372443 -0.228410 -1.378553
H 4.576985 0.580755 1.354940
H 4.752877 1.461221 -0.161620
H -0.751119 -1.114494 -1.942840
H -0.104990 0.969635 1.806708
H -3.251594 -0.916110 -1.639543
H -2.570058 1.168767 2.114472
H -4.712363 0.778436 1.371182
H -7.499205 -0.727277 0.421569
H -7.476316 0.827895 -0.435579
H -6.894581 0.739797 1.260062
H 7.921604 0.040665 0.028094


