%chk=000026956.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026956

0 1
 O   0.5645000      0.8402000     -0.6859000    
 O    2.928700      -2.428800      8.3099999E-02
 O    3.682000      0.1646000       1.113800    
 O   -1.237900     -0.5129000      -1.289000    
 O  -4.4000000E-03  -2.700000      1.6100001E-02
 O    1.258200       3.426700     -6.5200001E-02
 O   -3.760900      -1.068500      1.4500000E-02
 N   -2.762300      0.9879000      2.4999999E-03
 N   -3.510000      8.4799998E-02  0.4987000    
 C    1.991200      -1.400600      0.4061000    
 C    2.660300     -5.1300000E-02  0.1438000    
 C    1.639100       1.085900      0.2230000    
 C   0.7348000      -1.570600     -0.4480000    
 C  -0.1673000     -0.3395000     -0.3613000    
 C    2.259100       2.428800     -0.1500000    
 C   -2.139900      0.5984000      -1.277800    
 C   -4.135200      0.4549000       1.775600    
 H    1.753600      -1.521400       1.470200    
 H    3.142100     -6.8899997E-02 -0.8415000    
 H    1.224400       1.173900       1.236600    
 H    1.008600      -1.777000      -1.489500    
 H  -0.5875000     -0.2533000      0.6493000    
 H    2.639100       2.423300      -1.177000    
 H    3.074500       2.700300      0.5263000    
 H    3.718900      -2.285000      0.6315000    
 H    3.262900      0.1891000       1.990900    
 H  -0.2551000      -2.537200      0.9414000    
 H   -2.926400      0.3780000      -2.010500    
 H   -1.618100       1.474900      -1.679800    
 H   0.5373000       3.172400     -0.6665000    
 H   -3.345600      0.6566000       2.504100    
 H   -4.758800     -0.3719000       2.125300    
 H   -4.752600       1.342800       1.617200    


%chk=000026956-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026956

0 1
O 0.582120 0.712884 -0.645242
O 3.156742 -2.442301 0.258852
O 3.980611 0.290285 0.972078
O -1.119924 -0.816632 -1.164298
O 0.330808 -2.913845 0.224789
O 1.099927 3.470200 -0.092044
O -4.509924 1.412493 -0.559314
N -2.831296 0.013034 0.288138
N -3.938267 0.707220 0.396298
C 2.203942 -1.354086 0.494166
C 2.801816 0.012520 0.122616
C 1.713889 1.101918 0.227229
C 0.947601 -1.708822 -0.322768
C -0.072377 -0.564808 -0.230424
C 2.158825 2.478244 -0.276609
C -2.250822 0.093021 -1.076734
C -4.618341 0.685462 1.729110
H 1.917428 -1.330126 1.573724
H 3.214504 -0.017585 -0.900671
H 1.355670 1.189619 1.280991
H 1.235911 -1.844368 -1.385688
H -0.464933 -0.449664 0.803058
H 2.453678 2.393059 -1.343765
H 3.020269 2.839389 0.306904
H 4.030848 -2.170598 0.642200
H 3.675813 0.443135 1.905136
H 1.027007 -3.621091 0.224423
H -2.969572 -0.244628 -1.844168
H -1.952913 1.137252 -1.304693
H 0.296110 3.130786 -0.564235
H -4.031151 0.066889 2.419920
H -5.628822 0.273590 1.583944
H -4.697877 1.724156 2.085077


