%chk=000082013.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082013

0 1
 O   -4.070100       1.490800      0.1602000    
 O   -1.061500      -2.329100     -0.7100000    
 O    4.379200      0.5654000      0.3808000    
 N   -1.943300     -0.3569000      0.1803000    
 C   -1.772200      0.9822000      0.7567000    
 C   -3.330700     -0.8135000      0.1165000    
 C   -2.724400       1.968400      9.0499997E-02
 C   -4.209400      0.2466000     -0.5313000    
 C  -0.9140000      -1.207300     -0.2272000    
 C   0.4709000     -0.7439000     -6.8000004E-02
 C    1.160100      -1.011600       1.112000    
 C    1.087900     -3.9000001E-02  -1.098300    
 C    2.474900     -0.5710000       1.263100    
 C    2.402700      0.4014000     -0.9474000    
 C    3.096200      0.1355000      0.2333000    
 C    4.953600       1.281900     -0.7112000    
 H  -0.7442000       1.339600      0.6732000    
 H   -2.013100      0.8898000       1.822300    
 H   -3.648100     -0.9859000       1.151700    
 H   -3.410200      -1.760900     -0.4250000    
 H   -2.683300       2.934400      0.6033000    
 H   -2.454400       2.134500     -0.9592000    
 H   -3.952900      0.3891000      -1.587800    
 H   -5.260800     -5.2000001E-02 -0.4783000    
 H   0.6845000      -1.560800       1.920300    
 H   0.5546000      0.1735000      -2.021200    
 H    3.010000     -0.7810000       2.185200    
 H    2.824300      0.9445000      -1.786200    
 H    4.421700       2.220500     -0.9008000    
 H    5.026700      0.6576000      -1.608100    
 H    5.975800       1.546800     -0.4220000    


%chk=000082013-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082013

0 1
O -4.388083 1.229595 0.488423
O -1.180409 -1.589856 -1.602525
O 4.490538 0.650622 0.448172
N -1.998618 -0.370715 0.205965
C -1.992396 0.834977 1.064372
C -3.341325 -0.976450 0.039778
C -3.054635 1.842126 0.565438
C -4.357661 0.077608 -0.434824
C -0.958028 -0.797052 -0.627215
C 0.442605 -0.338978 -0.323073
C 0.967216 -0.260514 0.997584
C 1.316707 -0.107250 -1.412284
C 2.315735 0.063976 1.218798
C 2.668493 0.237814 -1.207833
C 3.169424 0.326840 0.116446
C 5.429537 0.893802 -0.651624
H -0.999306 1.310002 1.042090
H -2.226119 0.547732 2.109435
H -3.665870 -1.386341 1.016579
H -3.252618 -1.793447 -0.695389
H -3.154723 2.683046 1.271888
H -2.758651 2.230840 -0.434015
H -4.098101 0.422560 -1.458411
H -5.382391 -0.328075 -0.430957
H 0.327252 -0.494294 1.855626
H 0.924287 -0.220522 -2.428177
H 2.734763 0.108720 2.228402
H 3.315145 0.419700 -2.071164
H 5.114803 1.760229 -1.264865
H 5.532761 -0.000768 -1.295431
H 6.390168 1.113675 -0.163809


