%chk=000096814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096814

0 1
 O    2.949500      -1.871800     -0.6943000    
 O    1.121400       1.149100       1.672700    
 O    1.813700      -3.457400      0.4486000    
 N    1.151500     -4.4000000E-03 -0.3400000    
 N    1.114500       3.528900      0.2790000    
 C   0.7667000      -1.292200      0.1893000    
 C  -0.5243000      -1.797100     -0.4683000    
 C   -1.685400     -0.8484000     -0.2913000    
 C    1.696100       2.349000     -0.3560000    
 C    1.298600       1.123200      0.4565000    
 C    1.877900      -2.315300      5.7000001E-03
 C   -2.510900     -0.9833000      0.8136000    
 C   -1.904700      0.1401000      -1.237600    
 C    3.213400       2.475300     -0.4136000    
 C   -3.583600     -0.1064000      0.9769000    
 C   -2.977400       1.016700      -1.074400    
 C   -3.816800      0.8939000      3.3000000E-02
 H   0.6186000      -1.193600       1.271600    
 H  -0.3585000      -1.967800      -1.541300    
 H  -0.7948000      -2.781700     -6.3800000E-02
 H    1.364900      5.5100001E-02  -1.331500    
 H    1.289900       2.267200      -1.370300    
 H   -2.335600      -1.757500       1.555100    
 H   -1.259500      0.2442000      -2.105300    
 H    3.655300       1.597200     -0.8974000    
 H    3.650800       2.547200      0.5889000    
 H    3.515700       3.360400     -0.9835000    
 H   -4.236600     -0.2019000       1.839400    
 H   -3.159100       1.795200      -1.809600    
 H    1.365500       4.360800     -0.2544000    
 H    1.522300       3.660600       1.204500    
 H   -4.651700       1.576700      0.1601000    
 H    3.637300      -2.564600     -0.7901000    


%chk=000096814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096814

0 1
O 2.910781 -1.736229 -0.995919
O 1.067166 1.051247 1.790768
O 1.840130 -3.378792 0.249308
N 1.168239 0.181063 -0.364431
N 1.523732 3.595311 0.868950
C 0.766568 -1.165689 0.032518
C -0.523944 -1.674028 -0.682875
C -1.760048 -0.798701 -0.500016
C 1.951090 2.496859 -0.000807
C 1.345770 1.194315 0.558534
C 1.866484 -2.209871 -0.187321
C -1.992390 -0.034367 0.671833
C -2.748709 -0.797273 -1.518042
C 3.501133 2.325438 -0.099367
C -3.189876 0.701066 0.822254
C -3.947235 -0.065366 -1.368246
C -4.173464 0.686925 -0.192613
H 0.587231 -1.122818 1.123222
H -0.314614 -1.792734 -1.764731
H -0.721684 -2.691417 -0.291062
H 1.429451 0.343253 -1.338254
H 1.557396 2.648980 -1.028908
H -1.239313 0.013125 1.466405
H -2.579963 -1.378145 -2.434128
H 3.786222 1.503133 -0.782995
H 3.923365 2.114230 0.899402
H 3.953650 3.259793 -0.479907
H -3.347975 1.292106 1.731155
H -4.698739 -0.079361 -2.165847
H 2.102361 4.436165 0.824557
H 1.300528 3.281756 1.819972
H -5.099649 1.259973 -0.072740
H 3.581007 -2.462546 -1.118467


