%chk=000105878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105878

0 1
 O    4.800600       3.684500      0.8223000    
 O    3.508900      -4.471400      0.8446000    
 O   -4.830100      -3.629800     -0.9463000    
 O   -3.492000       4.521600     -0.6145000    
 O    3.417400       3.823000     -0.9796000    
 O    4.440100      -3.327600     -0.8885000    
 O   -3.402000      -3.861000      0.8106000    
 O   -4.455700       3.270500       1.024300    
 N    1.870200     -3.0700000E-02  2.1700000E-02
 N   -1.863200      3.8600001E-02 -4.0399998E-02
 C   0.5196000     -0.3422000     -0.4503000    
 C  -0.5180000      0.3345000      0.4404000    
 C    2.289600       1.282400     -0.4521000    
 C    2.811500      -1.062600     -0.4176000    
 C   -2.277300      -1.300800      0.3801000    
 C   -2.814700       1.040000      0.4437000    
 C    3.391400       1.842100      0.4427000    
 C    2.674700      -2.309600      0.4510000    
 C   -3.375600      -1.829200     -0.5379000    
 C   -2.690900       2.325600     -0.3687000    
 C    3.839600       3.209500     -1.1000000E-02
 C    3.642400      -3.389700      3.4800000E-02
 C   -3.837300      -3.204400     -0.1233000    
 C   -3.648800       3.386600      0.1142000    
 H   0.3924000     -2.8700000E-02  -1.496400    
 H   0.3447000      -1.419900     -0.4511000    
 H  -0.3964000      1.1500000E-02   1.484300    
 H  -0.3309000       1.410500      0.4481000    
 H    2.620100       1.243500      -1.499400    
 H    1.465800       2.005500     -0.4352000    
 H    2.667900      -1.307500      -1.479000    
 H    3.850000     -0.7233000     -0.3305000    
 H   -1.452600      -2.020700      0.3378000    
 H   -2.609800      -1.302800       1.427500    
 H   -3.850600      0.6962000      0.3435000    
 H   -2.671200       1.239500       1.514700    
 H    4.277200       1.199500      0.4430000    
 H    3.021800       1.933300       1.471100    
 H    1.672700      -2.744900      0.3927000    
 H    2.885500      -2.054900       1.496800    
 H   -2.999400      -1.895700      -1.565800    
 H   -4.256800      -1.180400     -0.5280000    
 H   -2.918500       2.121100      -1.421800    
 H   -1.687300       2.756500     -0.3057000    
 H    5.111700       4.574700      0.5519000    
 H    4.127500      -5.191600      0.5977000    
 H   -5.151600      -4.523200     -0.6998000    
 H   -4.102800       5.231300     -0.3219000    


%chk=000105878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105878

0 1
O 5.065328 3.585254 0.811726
O 3.527335 -4.579766 0.795387
O -5.059331 -3.595934 -0.779201
O -3.533523 4.578270 -0.816811
O 3.182303 4.099955 -0.444022
O 4.739734 -3.302451 -0.717287
O -3.164162 -4.098542 0.463055
O -4.750203 3.301220 0.692637
N 1.908273 -0.046534 -0.147886
N -1.908209 0.051106 0.143711
C 0.490511 -0.282774 -0.526948
C -0.490580 0.292867 0.520450
C 2.389214 1.305952 -0.523265
C 2.827743 -1.134108 -0.564612
C -2.384618 -1.300334 0.528666
C -2.830023 1.138693 0.555184
C 3.485861 1.805214 0.439063
C 2.746321 -2.338286 0.394542
C -3.483698 -1.808413 -0.426267
C -2.750961 2.338398 -0.409748
C 3.849150 3.255302 0.194618
C 3.771803 -3.404475 0.069289
C -3.839506 -3.258904 -0.173266
C -3.779211 3.403616 -0.090105
H 0.241085 0.149654 -1.523897
H 0.325489 -1.373113 -0.609769
H -0.238634 -0.137061 1.517790
H -0.328845 1.383863 0.601070
H 2.765161 1.342152 -1.573719
H 1.541718 2.011372 -0.477497
H 2.633739 -1.471791 -1.610235
H 3.863874 -0.753799 -0.555088
H -1.535490 -2.003867 0.483643
H -2.756269 -1.331257 1.580871
H -3.865371 0.756288 0.547317
H -2.636777 1.481807 1.599217
H 4.405116 1.195654 0.382728
H 3.118628 1.711213 1.479967
H 1.744077 -2.803947 0.396579
H 2.919967 -1.991531 1.431638
H -3.121282 -1.718013 -1.469198
H -4.405281 -1.202571 -0.368759
H -2.923717 1.985947 -1.445102
H -1.749825 2.806320 -0.413874
H 5.258079 4.550827 0.660292
H 4.231046 -5.251049 0.580057
H -5.246955 -4.561715 -0.622724
H -4.239283 5.248691 -0.605517


