%chk=000018958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018958

0 1
 O   0.5079000       2.308300      0.5908000    
 O   0.5335000      -2.324700      0.5698000    
 O   -4.433600     -6.2000002E-03  -1.766600    
 N   0.1176000     -1.0200000E-02  0.7288000    
 N   -6.033900      3.2099999E-02 -0.1174000    
 C   -1.248200     -1.8800000E-02   1.213700    
 C   -2.269400     -3.0800000E-02  7.8299999E-02
 C    2.149600      0.6962000      2.0500001E-02
 C    2.156100     -0.6908000      1.4600000E-02
 C   0.8337000       1.141300      0.4775000    
 C   0.8444000      -1.152600      0.4678000    
 C   -3.722800     -9.8999999E-03  0.5543000    
 C    3.251800       1.433200     -0.3611000    
 C    3.265300      -1.414000     -0.3733000    
 C    4.387700      0.7216000     -0.7575000    
 C    4.394300     -0.6883000     -0.7637000    
 C   -4.734100      1.3700000E-02 -0.5767000    
 H   -1.400300      0.8709000       1.835400    
 H   -1.387900     -0.9059000       1.841900    
 H   -2.106000     -0.9169000     -0.5489000    
 H   -2.092100      0.8326000     -0.5763000    
 H   -3.920500     -0.8949000       1.171000    
 H   -3.892400      0.8758000       1.178300    
 H    3.246800       2.516800     -0.3569000    
 H    3.270700      -2.497700     -0.3786000    
 H    5.279600       1.260600      -1.066100    
 H    5.291300      -1.216200      -1.077200    
 H   -6.815700      4.1400000E-02 -0.7640000    
 H   -6.259700      4.0600002E-02  0.8722000    


%chk=000018958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018958

0 1
O 0.437156 2.353394 0.677185
O 0.435567 -2.355480 0.646815
O -4.460223 -0.002722 -1.781114
N 0.107143 -0.001630 0.764853
N -6.099020 0.001202 -0.142991
C -1.286659 -0.004095 1.231481
C -2.296610 -0.003296 0.062021
C 2.196472 0.710769 0.020787
C 2.195939 -0.705696 0.011500
C 0.858353 1.182331 0.505652
C 0.857497 -1.182562 0.490295
C -3.743430 -0.006299 0.587047
C 3.322837 1.444770 -0.378403
C 3.321743 -1.435246 -0.397300
C 4.467430 0.715956 -0.795816
C 4.466885 -0.701888 -0.805131
C -4.773596 -0.002492 -0.556057
H -1.423575 0.895207 1.859807
H -1.422026 -0.905470 1.857184
H -2.132442 -0.888789 -0.576345
H -2.134885 0.885024 -0.573062
H -3.919181 -0.898970 1.221868
H -3.920302 0.880551 1.229677
H 3.311447 2.539071 -0.366582
H 3.309514 -2.529600 -0.399821
H 5.365429 1.254653 -1.116693
H 5.364469 -1.237017 -1.133058
H -6.829973 0.003306 -0.854063
H -6.362259 0.002218 0.840867


