%chk=000034611.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034611

0 1
 O    1.468600       3.022800     -0.4160000    
 O    3.467100      -2.038300      5.0999999E-02
 O   -1.370800       1.073600       2.303900    
 N   0.8975000      -2.776800      0.1491000    
 C    1.224500      0.8623000      0.1978000    
 C    1.683900     -0.4585000      0.3424000    
 C   0.8295000      -1.540200      0.9257000    
 C    2.082400       1.807600     -0.3549000    
 C   1.9900000E-02   1.556300      0.4863000    
 C    2.985800     -0.7671000     -7.5599998E-02
 C    3.380700       1.531100     -0.7794000    
 C   0.2204000       2.860100      9.5700003E-02
 C    3.817100      0.2119000     -0.6261000    
 C   -1.194100       1.060700       1.065900    
 C   9.7499996E-02  -3.824300      0.7834000    
 C   0.4421000      -2.546000      -1.221600    
 C   -2.325700      0.4990000      0.2475000    
 C   -2.181700      0.4619000      -1.114500    
 C   -3.441100      5.3399999E-02  0.9065000    
 C   -3.230200     -5.8800001E-02  -1.873100    
 C   -4.489500     -0.4674000      0.1479000    
 C   -4.383900     -0.5234000      -1.241900    
 H    1.198600      -1.725200       1.943500    
 H  -0.2119000      -1.233600       1.028300    
 H    4.019300       2.295700      -1.205500    
 H  -0.3932000       3.749500      0.1129000    
 H    4.825500     -4.1499998E-02 -0.9462000    
 H   0.4588000      -4.023100       1.798500    
 H   0.1878000      -4.765500      0.2296000    
 H  -0.9645000      -3.558800      0.8407000    
 H    1.078400      -1.851400      -1.778100    
 H  -0.5884000      -2.174800      -1.255800    
 H   0.4736000      -3.484400      -1.788300    
 H    4.377800      -2.069900     -0.2889000    
 H   -1.298500      0.8119000      -1.636600    
 H   -3.546700      8.5800000E-02   1.985800    
 H   -3.147900     -0.1037000      -2.955200    
 H   -5.388000     -0.8297000      0.6390000    
 H   -5.199900     -0.9293000      -1.832500    


%chk=000034611-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034611

0 1
O 1.129961 2.575148 -0.974489
O 4.147767 -1.681850 0.948987
O -1.311111 -0.403643 1.640161
N 1.266926 -2.984418 0.123117
C 1.293138 0.488599 0.080514
C 2.012796 -0.647315 0.554878
C 1.391742 -1.902340 1.147237
C 2.018600 1.560995 -0.524212
C -0.129052 0.880195 -0.020862
C 3.429706 -0.587205 0.430142
C 3.406186 1.612340 -0.668007
C -0.148390 2.116601 -0.660209
C 4.118870 0.507122 -0.162527
C -1.352812 0.271820 0.561225
C 1.214687 -4.324268 0.737274
C 0.165517 -2.760706 -0.831844
C -2.676884 0.500420 -0.119551
C -2.798814 0.700498 -1.521543
C -3.852855 0.441385 0.676780
C -4.073556 0.851940 -2.110745
C -5.122430 0.605832 0.089626
C -5.236349 0.813412 -1.307227
H 2.074141 -2.282882 1.926502
H 0.419203 -1.660512 1.624478
H 3.905377 2.460888 -1.141418
H -0.963433 2.793284 -0.902540
H 5.213868 0.490750 -0.231426
H 2.115964 -4.481260 1.355971
H 1.206123 -5.093545 -0.056904
H 0.313826 -4.489677 1.382723
H 0.298892 -1.788386 -1.338302
H -0.847114 -2.769015 -0.353677
H 0.186038 -3.549009 -1.606587
H 5.117483 -1.569318 0.792039
H -1.903961 0.700225 -2.152603
H -3.742353 0.259654 1.750904
H -4.160257 0.990545 -3.194021
H -6.022478 0.570356 0.713026
H -6.224161 0.935240 -1.765691


