%chk=000049306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049306

0 1
 O  -0.6222000      0.3873000       2.395100    
 O  -0.7035000      0.4258000      -2.409200    
 O   -2.107900      -3.217800     -1.1600000E-02
 N   -1.360800      -1.392400       1.162400    
 N   -1.398000      -1.374800      -1.181100    
 C  -0.6101000      0.6406000     -5.7000001E-03
 C   0.8481000       1.118100     -3.0600000E-02
 C    1.823500     -5.7999998E-02  1.0800000E-02
 C   -1.556000       1.808300      2.4700001E-02
 C    3.275000      0.4207000     -4.8200000E-02
 C  -0.8511000     -0.1125000       1.291600    
 C  -0.8941000     -9.2200004E-02  -1.306900    
 C    4.251200     -0.7530000      2.7100001E-02
 C   -3.015800       1.475100      0.1127000    
 C   -1.654300      -2.072000     -1.0100000E-02
 C   -1.119600       3.075700     -2.3399999E-02
 C    5.695500     -0.2788000      2.4000001E-03
 H    1.075800       1.755500      0.8352000    
 H    1.066500       1.697800     -0.9381000    
 H    1.684800     -0.6405000      0.9288000    
 H    1.643600     -0.7368000     -0.8309000    
 H    3.442400      0.9792000     -0.9772000    
 H    3.467800       1.110300      0.7827000    
 H    4.077800      -1.324200      0.9466000    
 H    4.080400      -1.433900     -0.8149000    
 H   -1.535700      -1.895200       2.028100    
 H   -1.600700      -1.864500      -2.048300    
 H   -3.338300      0.8554000     -0.7294000    
 H   -3.255700      0.9537000       1.044300    
 H   -3.634300       2.379700      9.1100000E-02
 H   -1.836000       3.892800      2.2000000E-03
 H  -8.6199999E-02   3.386700     -9.2299998E-02
 H    5.912000      0.2709000     -0.9192000    
 H    6.376200      -1.134200      5.5599999E-02
 H    5.907600      0.3777000      0.8522000    


%chk=000049306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049306

0 1
O -0.584078 0.320752 2.440763
O -0.620849 0.337799 -2.438141
O -2.298156 -3.237958 0.001258
N -1.446669 -1.409342 1.182380
N -1.484803 -1.392246 -1.180300
C -0.623165 0.671071 0.003379
C 0.878310 1.103631 -0.009030
C 1.874014 -0.078738 -0.000696
C -1.616779 1.872072 0.015055
C 3.341763 0.404187 -0.015295
C -0.868592 -0.130462 1.303569
C -0.893875 -0.118762 -1.300650
C 4.360900 -0.758228 0.007848
C -3.089410 1.509332 0.119500
C -1.783525 -2.092599 0.001148
C -1.200180 3.158295 -0.072223
C 5.825601 -0.270834 -0.007002
H 1.048991 1.736553 0.880330
H 1.041918 1.713613 -0.915471
H 1.713178 -0.705120 0.900648
H 1.701940 -0.728091 -0.883785
H 3.515559 1.025540 -0.918227
H 3.519730 1.063692 0.859395
H 4.184587 -1.378113 0.910471
H 4.179979 -1.418594 -0.864698
H -1.629638 -1.918247 2.054024
H -1.690416 -1.890589 -2.052977
H -3.409232 0.843602 -0.705668
H -3.315420 0.987391 1.069606
H -3.717381 2.414276 0.080068
H -1.927988 3.977689 -0.068582
H -0.148032 3.443771 -0.147620
H 6.035347 0.326374 -0.914436
H 6.534662 -1.118618 0.010796
H 6.039611 0.367397 0.871065


