%chk=000055506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055506

0 1
 O   -3.253400      0.9619000      0.1606000    
 O    4.257500     -0.2484000     -0.6911000    
 O   -5.205100      -1.937600      0.1362000    
 O   -5.741400      0.1801000      0.3533000    
 O    4.451900     -0.4233000       1.635000    
 N   -4.863900     -0.7193000      0.1953000    
 C   0.1187000     -0.1778000     -0.2673000    
 C   -1.294500     -0.1345000     -0.1211000    
 C   0.8464000       1.041700     -0.2480000    
 C   -1.904400       1.106500      3.4899998E-02
 C   0.1681000       2.261400     -8.6800002E-02
 C   -2.356300      -1.083200     -8.6000003E-02
 C   0.7968000      -1.402300     -0.4293000    
 C   -1.221500       2.319600      5.8100000E-02
 C    2.241600      0.9942000     -0.3925000    
 C   -3.517300     -0.3671000      8.6199999E-02
 C    2.903000     -0.2257000     -0.5523000    
 C    2.183600      -1.419000     -0.5706000    
 C    4.956400     -0.3552000      0.5220000    
 C    6.433800     -0.3720000      0.2634000    
 H   0.7252000       3.197300     -7.1800001E-02
 H   -2.277500      -2.158000     -0.1759000    
 H   0.2569000      -2.345600     -0.4467000    
 H   -1.738400       3.264100      0.1823000    
 H    2.823800       1.914300     -0.3821000    
 H    2.698200      -2.368000     -0.6958000    
 H    6.689000      -1.230600     -0.3625000    
 H    6.967600     -0.4614000       1.213700    
 H    6.734200      0.5607000     -0.2202000    


%chk=000055506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055506

0 1
O -3.427726 1.044124 -0.180127
O 4.305987 0.092729 -0.015067
O -5.131031 -2.099861 0.145577
O -5.946124 0.038404 -0.098525
O 4.969573 -2.158012 0.240633
N -4.982921 -0.815859 0.006015
C 0.053937 -0.112842 -0.020830
C -1.385848 -0.057114 -0.039913
C 0.763178 1.144202 -0.153330
C -2.028454 1.200794 -0.183383
C 0.037885 2.387949 -0.295402
C -2.433102 -1.041279 0.056901
C 0.801190 -1.317182 0.118394
C -1.356983 2.438476 -0.312665
C 2.189044 1.132731 -0.141833
C -3.627771 -0.340012 -0.031640
C 2.888485 -0.071192 -0.004630
C 2.201516 -1.317140 0.128904
C 5.256030 -0.952858 0.106473
C 6.642193 -0.354609 0.045916
H 0.612772 3.315433 -0.392210
H -2.351546 -2.118576 0.174854
H 0.272691 -2.271050 0.220395
H -1.909765 3.374529 -0.419919
H 2.752013 2.066084 -0.241135
H 2.763443 -2.244725 0.236508
H 6.780231 0.191494 -0.903162
H 7.391488 -1.154421 0.129191
H 6.778615 0.372585 0.865009


