%chk=000045626.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045626

0 1
 O   0.2305000      0.1142000      -2.722000    
 O    5.359400      0.1111000      0.9510000    
 N  -0.8330000      2.2800000E-02 -0.6457000    
 C   -3.078500     -0.1627000       1.248900    
 C   -2.465400      -1.366600      0.6007000    
 C   -2.599100       1.141500      0.6912000    
 C   -1.375200      -1.260600     -0.2779000    
 C   -1.527700       1.210900     -0.2122000    
 C   -2.976700      -2.630400      0.9526000    
 C   -3.254200       2.315200       1.109800    
 C  -0.7979000      -2.456900     -0.7486000    
 C   -1.186000       2.479200     -0.7234000    
 C   0.2859000      0.1042000      -1.493000    
 C   -2.409100      -3.795300      0.4495000    
 C   -2.876900       3.558700      0.6155000    
 C   -1.313700      -3.707700     -0.3964000    
 C   -1.846900       3.639000     -0.3094000    
 C    1.630600      0.1070000     -0.8457000    
 C    1.725000      3.1099999E-02  0.5380000    
 C    2.771800      0.1850000      -1.634000    
 C    2.981600      3.3100002E-02   1.143600    
 C    4.028300      0.1869000      -1.028400    
 C    4.133200      0.1110000      0.3604000    
 C    5.394300      2.9300001E-02   2.375100    
 H   -4.167500     -0.2170000       1.122300    
 H   -2.849300     -0.1886000       2.321800    
 H   -3.819200      -2.706300       1.636400    
 H   -4.072900       2.257100       1.823600    
 H   5.9599999E-02  -2.444000      -1.417000    
 H  -0.3835000       2.592700      -1.448500    
 H   -2.810900      -4.764400      0.7280000    
 H   -3.391600       4.456700      0.9426000    
 H  -0.8540000      -4.611300     -0.7864000    
 H   -1.550900       4.603300     -0.7123000    
 H   0.8576000     -2.7700000E-02   1.187400    
 H    2.715700      0.2458000      -2.717200    
 H    2.991300     -2.7500000E-02   2.226600    
 H    4.921900      0.2476000      -1.643500    
 H    4.970600     -0.9146000       2.734500    
 H    4.920500      0.9006000       2.839900    
 H    6.447600      4.1099999E-02   2.673800    


%chk=000045626-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045626

0 1
O 0.590888 2.082588 -1.803141
O 5.457843 -1.041413 0.889407
N -0.769809 0.695940 -0.472079
C -2.539149 0.321110 1.658281
C -1.924700 -0.900241 0.999111
C -2.865953 1.365830 0.600884
C -1.009742 -0.672102 -0.062466
C -1.936016 1.564607 -0.460097
C -2.231134 -2.227733 1.369809
C -4.037821 2.149564 0.649106
C -0.430764 -1.761884 -0.756659
C -2.181534 2.551230 -1.447176
C 0.492711 1.126691 -0.972688
C -1.625988 -3.320333 0.708489
C -4.284881 3.142463 -0.325812
C -0.725930 -3.081879 -0.357087
C -3.350001 3.340788 -1.365786
C 1.730046 0.470680 -0.433622
C 1.840750 -0.030324 0.887001
C 2.888523 0.474596 -1.260068
C 3.063337 -0.536474 1.373703
C 4.107535 -0.040343 -0.797346
C 4.199173 -0.553085 0.523508
C 5.616563 -1.574193 2.246470
H -3.437401 0.050705 2.240173
H -1.810931 0.755746 2.378689
H -2.945551 -2.404135 2.182757
H -4.754522 1.986784 1.463108
H 0.239377 -1.577766 -1.601424
H -1.459377 2.700119 -2.249549
H -1.864889 -4.346270 1.008471
H -5.195248 3.749456 -0.274806
H -0.269691 -3.922291 -0.891280
H -3.530923 4.105441 -2.129269
H 0.971778 -0.014632 1.552039
H 2.811188 0.903737 -2.264116
H 3.119853 -0.906455 2.401495
H 5.001664 -0.051125 -1.427501
H 4.946962 -2.438848 2.418367
H 5.423540 -0.794347 3.008069
H 6.665526 -1.898703 2.304633


