%chk=000047035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047035

1 1
 O   0.7499000     -0.1020000     -0.3991000    
 O    5.633300     -0.5749000     -0.3595000    
 O    1.326800      0.6733000       1.706000    
 N   -1.530900      -1.683800     -1.6400000E-02
 N    2.983200      0.2210000      0.1418000    
 C   -1.619000     -0.2401000     -0.1273000    
 C   -2.858500      0.3945000     -4.3900002E-02
 C   -4.114400     -0.3885000      0.1597000    
 C  -0.4943000      0.5310000     -0.3152000    
 C   -2.349600      -2.392600      -1.130400    
 C   -2.057700      -2.184300       1.356900    
 C  -8.9199997E-02  -2.265700     -0.1363000    
 C  -0.5423000       1.902400     -0.4240000    
 C   -2.940100       1.783000     -0.1510000    
 C   -1.781900       2.536900     -0.3408000    
 C   -5.095400     -0.2395000      -1.017300    
 C   -4.820800     -3.1099999E-02   1.480000    
 C    3.382400     -0.2265000      -1.194600    
 C    4.077000      0.7184000      0.9730000    
 C   0.6856000       2.727500     -0.6273000    
 C    1.660600      0.2972000      0.5831000    
 C    4.566900      -1.179100      -1.097200    
 C    5.228600     -0.2770000      0.9799000    
 H   -4.004400      -1.452300      0.2155000    
 H   -1.696300      -3.101900      -1.651500    
 H   -3.177300      -2.975800     -0.7203000    
 H   -2.676300      -1.662500      -1.875100    
 H   -1.987700      -1.369000       2.084000    
 H   -3.061200      -2.607400       1.311100    
 H   -1.408400      -2.996400       1.703600    
 H   0.5036000      -1.980200      0.7363000    
 H  -0.1878000      -3.358900     -7.2899997E-02
 H   0.3192000      -2.068300      -1.132900    
 H   -3.893400       2.300600     -8.9100003E-02
 H   -1.860800       3.618000     -0.4198000    
 H   -5.479100      0.7834000      -1.099500    
 H   -5.959200     -0.9009000     -0.8849000    
 H   -4.624200     -0.4924000      -1.972300    
 H   -4.149300     -0.1592000       2.335500    
 H   -5.691300     -0.6777000       1.638300    
 H   -5.177100       1.004700       1.486900    
 H    3.666900      0.6750000      -1.749700    
 H    2.555800     -0.7054000      -1.725200    
 H    3.735600      0.9210000       1.992400    
 H    4.398900       1.666700      0.5268000    
 H    1.181600       2.942300      0.3235000    
 H    1.385300       2.252600      -1.322000    
 H   0.4294000       3.691900      -1.082300    
 H    4.282200      -2.121000     -0.6133000    
 H    4.941800      -1.416300      -2.097600    
 H    6.089600      0.1471000       1.505400    
 H    4.949700      -1.207800       1.488100    


%chk=000047035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047035

1 1
O 0.880548 0.079118 -0.704651
O 5.686002 -0.462911 0.076844
O 0.957571 -0.161534 1.645440
N -1.419196 -1.819914 -0.086632
N 2.919350 0.215577 0.404197
C -1.587988 -0.301420 -0.317709
C -2.891344 0.286892 -0.185435
C -4.189917 -0.345801 0.378438
C -0.475922 0.528749 -0.660661
C -2.411405 -2.587958 -0.984829
C -1.591651 -2.141841 1.412375
C -0.056738 -2.429887 -0.477896
C -0.635288 1.894580 -1.011008
C -3.017188 1.653974 -0.543905
C -1.936253 2.434998 -0.975047
C -5.353521 -0.311229 -0.650898
C -4.597304 0.365261 1.701365
C 3.610092 0.506531 -0.880083
C 3.820442 0.154542 1.588925
C 0.561720 2.743563 -1.386682
C 1.579196 0.054425 0.569693
C 4.772500 -0.490835 -1.072307
C 4.971575 -0.831043 1.308410
H -4.041485 -1.404638 0.646596
H -2.043545 -2.521713 -2.019679
H -2.430690 -3.638153 -0.654419
H -3.413762 -2.160533 -0.932847
H -0.841563 -1.542865 1.951576
H -2.601398 -1.880618 1.746503
H -1.413764 -3.219721 1.555802
H 0.689567 -2.176123 0.280922
H -0.202378 -3.521711 -0.498346
H 0.246891 -2.066311 -1.466536
H -4.003924 2.120042 -0.471146
H -2.093442 3.482098 -1.252159
H -5.645584 0.723579 -0.899205
H -6.243120 -0.812983 -0.230847
H -5.090717 -0.813862 -1.600596
H -3.786435 0.329964 2.451477
H -5.490094 -0.123340 2.131160
H -4.846889 1.426885 1.532726
H 4.017605 1.534934 -0.831865
H 2.891999 0.441287 -1.709859
H 3.230578 -0.147197 2.469292
H 4.232369 1.166383 1.764600
H 1.263794 2.851059 -0.538944
H 1.127576 2.298096 -2.223450
H 0.241118 3.754316 -1.685487
H 4.374485 -1.519101 -1.218017
H 5.382696 -0.208206 -1.944745
H 5.722022 -0.787848 2.113067
H 4.578805 -1.867558 1.225581


