%chk=000114529.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114529

0 1
 O    1.080900      -1.497100     -0.9640000    
 O    1.073400       1.499500      0.9634000    
 O   -2.804000     -2.4000001E-03 -6.0000003E-04
 N  -0.7339000      -1.038900      0.4384000    
 N  -0.7354000       1.037000     -0.4396000    
 C   0.6627000     -0.7463000      0.1666000    
 C   0.6618000      0.7458000     -0.1682000    
 C   -1.579600     -1.6000000E-03 -6.0000003E-04
 C   -1.199700      -2.248900       1.081900    
 C   -1.202800       2.246700      -1.082400    
 C    2.392500      -1.135300      -1.375900    
 C    2.384100       1.141400       1.381000    
 H    1.237100      -1.062800       1.038300    
 H    1.236300       1.064500      -1.038900    
 H   -2.288200      -2.240000       1.177600    
 H  -0.7467000      -2.314200       2.074500    
 H  -0.8924000      -3.107600      0.4795000    
 H   -2.291400       2.236400      -1.178100    
 H  -0.7499000       2.313100      -2.075100    
 H  -0.8968000       3.105700     -0.4797000    
 H    3.071900      -1.024800     -0.5262000    
 H    2.393700     -0.2472000      -2.011300    
 H    2.774600      -1.955500      -1.992300    
 H    2.761500       1.962900       1.998600    
 H    3.067400       1.032400      0.5341000    
 H    2.385000      0.2535000       2.016600    


%chk=000114529-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114529

0 1
O 1.092366 -1.560785 -1.000291
O 1.085987 1.563587 1.002291
O -2.895107 -0.003571 -0.002727
N -0.794554 -1.070137 0.360462
N -0.796648 1.068218 -0.362685
C 0.595251 -0.771059 0.148604
C 0.593476 0.772753 -0.147828
C -1.636740 -0.002471 -0.003133
C -1.297629 -2.378197 0.766508
C -1.302411 2.375577 -0.767664
C 2.553559 -1.659243 -1.033760
C 2.546872 1.665433 1.039291
H 1.223099 -0.999771 1.038720
H 1.222630 1.003385 -1.036515
H -2.399046 -2.328713 0.751182
H -0.967325 -2.635750 1.791456
H -0.960250 -3.164109 0.067776
H -2.403718 2.322870 -0.755457
H -0.970070 2.635843 -1.791256
H -0.969231 3.161275 -0.066663
H 2.952013 -2.112501 -0.100980
H 3.038404 -0.671685 -1.187850
H 2.790634 -2.312662 -1.887327
H 2.780391 2.319396 1.893421
H 2.946523 2.119617 0.107473
H 3.033623 0.679000 1.194551


