%chk=000178976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178976

0 1
 O    3.233600     -0.2444000       1.100100    
 O    2.873200      0.3047000      -1.194900    
 O   -1.256700     -0.2412000     -0.6823000    
 O   0.2698000       1.465100       1.730700    
 O    1.077500       2.095400     -0.2199000    
 N   0.7424000       1.245700      0.6111000    
 C   0.9495000     -0.1820000      0.2323000    
 C    1.917200     -0.7727000       1.255300    
 C    1.535400     -0.1911000      -1.178500    
 C    3.734300     -0.3246000     -0.2392000    
 C  -0.4205000     -0.8508000      0.2842000    
 C    4.071900      -1.766400     -0.6372000    
 C    5.027300      0.4959000     -0.2459000    
 C   -2.602000     -0.2067000     -0.4099000    
 C   -3.172200      -1.214200      0.3574000    
 C   -3.375300      0.8350000     -0.9061000    
 C   -4.539200      -1.179600      0.6334000    
 C   -4.742200      0.8696000     -0.6301000    
 C   -5.324000     -0.1377000      0.1396000    
 H    1.608000     -0.5834000       2.289600    
 H    1.966900      -1.863300       1.155200    
 H    1.543900      -1.212200      -1.579000    
 H   0.9525000      0.3938000      -1.900800    
 H  -0.8299000     -0.7731000       1.301000    
 H  -0.3221000      -1.915600      3.7500001E-02
 H    4.776600      -2.213900      7.2200000E-02
 H    3.188900      -2.412000     -0.6491000    
 H    4.501700      -1.804700      -1.643900    
 H    5.484200      0.5163000      -1.241300    
 H    4.820400       1.535700      3.4899998E-02
 H    5.753500      0.1061000      0.4756000    
 H   -2.603300      -2.058700      0.7337000    
 H   -2.925200       1.621100      -1.505500    
 H   -4.994200      -1.967600       1.226500    
 H   -5.353500       1.680700      -1.014800    
 H   -6.388600     -0.1116000      0.3531000    


%chk=000178976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178976

0 1
O 3.425413 -0.373882 1.061367
O 2.899015 0.399116 -1.169316
O -1.265129 0.253470 -0.222047
O 0.770080 1.598534 2.312378
O 1.140445 2.504386 0.258006
N 0.991380 1.512935 1.045872
C 1.038004 0.053236 0.465913
C 2.043811 -0.766267 1.317210
C 1.476673 0.080869 -1.012968
C 3.815446 -0.439527 -0.372930
C -0.378214 -0.519771 0.646193
C 3.843693 -1.895830 -0.878923
C 5.169555 0.255699 -0.448385
C -2.640149 -0.065804 -0.202535
C -3.203504 -1.104098 0.577200
C -3.453628 0.735681 -1.038517
C -4.598567 -1.333201 0.509547
C -4.840106 0.493437 -1.093973
C -5.421334 -0.542641 -0.321138
H 1.878402 -0.579445 2.389564
H 1.880353 -1.844473 1.101812
H 1.229076 -0.904666 -1.461603
H 0.943134 0.867266 -1.563051
H -0.685760 -0.427891 1.707180
H -0.384110 -1.589844 0.350887
H 4.541999 -2.487429 -0.262872
H 2.855570 -2.386856 -0.845737
H 4.192372 -1.910794 -1.925269
H 5.515353 0.297542 -1.494342
H 5.069530 1.282796 -0.063914
H 5.910959 -0.287102 0.160838
H -2.587245 -1.727237 1.232404
H -2.986027 1.533954 -1.622891
H -5.037880 -2.134429 1.114214
H -5.469108 1.116168 -1.739358
H -6.499700 -0.726307 -0.365817


