%chk=000049290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049290

0 1
 O  -0.8534000     -0.6639000      -2.292500    
 O  -0.8371000     -0.1917000       2.379400    
 O   -3.910800       2.039900     -0.1951000    
 N   -2.442300      0.6085000      -1.234500    
 N   -2.433600      0.8449000       1.099200    
 C   -1.116300     -0.9672000      9.8899998E-02
 C   0.3535000      -1.410100      0.1385000    
 C    1.301000     -0.2215000     -2.2299999E-02
 C    2.764700     -0.6625000      5.1100001E-02
 C   -2.023700      -2.203800      0.2273000    
 C   -1.420200     -0.3286000      -1.252600    
 C   -1.411000     -7.0799999E-02   1.297400    
 C    3.710600      0.5342000     -7.1900003E-02
 C    5.189000      0.1504000      1.9500000E-02
 C   -3.004200       1.209400     -0.1144000    
 C    6.133900       1.332900     -0.1279000    
 H   0.5550000      -2.138200     -0.6586000    
 H   0.5733000      -1.923300       1.084000    
 H    1.139500      0.2836000     -0.9806000    
 H    1.122300      0.5235000      0.7610000    
 H    2.975500      -1.381100     -0.7499000    
 H    2.948300      -1.174600       1.003300    
 H   -3.085100      -1.929100      0.2058000    
 H   -1.854100      -2.909300     -0.5945000    
 H   -1.844000      -2.733100       1.170300    
 H    3.482000       1.260800      0.7177000    
 H    3.530200       1.039800      -1.028800    
 H    5.378400     -0.3368000      0.9834000    
 H    5.421300     -0.5858000     -0.7593000    
 H   -2.760400      0.9509000      -2.136900    
 H   -2.745400       1.361400       1.917000    
 H    7.174000       1.000500     -5.4200001E-02
 H    5.956000       2.074400      0.6572000    
 H    5.999500       1.821000      -1.098400    


%chk=000049290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049290

0 1
O -1.381621 -1.164996 -2.331699
O -1.417024 -0.650826 2.513978
O -2.922377 2.721919 -0.305143
N -2.132066 0.748450 -1.278539
N -2.149309 0.997743 1.071957
C -1.254915 -1.157916 0.118692
C 0.286497 -1.460112 0.161157
C 1.198155 -0.220103 0.039240
C 2.695765 -0.601051 0.074928
C -2.041114 -2.499106 0.255914
C -1.585666 -0.549292 -1.253973
C -1.604460 -0.275248 1.328187
C 3.637753 0.616540 -0.055769
C 5.134508 0.231036 -0.026288
C -2.434576 1.571992 -0.179592
C 6.073153 1.448546 -0.166579
H 0.498859 -2.164373 -0.664984
H 0.485909 -1.980576 1.116632
H 0.986898 0.315884 -0.909036
H 0.986793 0.490145 0.865064
H 2.909284 -1.318571 -0.744540
H 2.914726 -1.135012 1.022995
H -3.133664 -2.336916 0.231456
H -1.767967 -3.165275 -0.578689
H -1.780010 -2.974782 1.215369
H 3.428774 1.334933 0.764357
H 3.417788 1.152629 -1.002742
H 5.354873 -0.300656 0.921914
H 5.339677 -0.491692 -0.842427
H -2.344591 1.145329 -2.200094
H -2.374087 1.579081 1.886495
H 7.136023 1.145458 -0.142615
H 5.909699 2.172485 0.654047
H 5.894711 1.979029 -1.121079


