%chk=000114197.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114197

0 1
 O    6.586700      0.9908000      0.2655000    
 O   -7.823600     -0.3948000      0.8054000    
 N  -0.4677000      0.4866000      -1.585500    
 C    2.159900      -1.004500     -0.8064000    
 C   0.8239000     -0.9711000     -6.1000001E-02
 C   0.3635000      0.4728000     -0.3845000    
 C    1.776700     -0.6897000      -2.333400    
 C    2.758300      -2.426000     -0.6764000    
 C   0.9004000      -1.430900       1.406700    
 C    3.044500      0.1268000     -0.1404000    
 C   0.9000000       1.433600      0.6672000    
 C   0.2085000     -0.4206000      -2.590500    
 C    2.848000      -2.914500      0.7736000    
 C    1.499300      -2.835600       1.487200    
 C    2.447100       1.222500      0.6111000    
 C   -1.851100      0.1212000      -1.331600    
 C    4.439900      9.1200002E-02 -0.2574000    
 C    3.262300       2.163900       1.248200    
 C   -2.474600       1.036200     -0.2769000    
 C    5.230000       1.051900      0.3800000    
 C    4.647700       2.071300       1.135300    
 C   -3.904200      0.6535000      1.2300000E-02
 C   -4.925700       1.228500     -0.7280000    
 C   -4.173100     -0.2669000       1.013800    
 C   -6.248100      0.8748000     -0.4602000    
 C   -5.495500     -0.6209000       1.281600    
 C   -6.533100     -5.0000001E-02  0.5444000    
 H   0.1397000      -1.706000     -0.5080000    
 H    1.072700      0.9714000      -1.061400    
 H    2.075900      -1.525200      -2.977900    
 H    2.341200      0.1839000      -2.685700    
 H    3.744700      -2.490300      -1.147800    
 H    2.121200      -3.132500      -1.226600    
 H  -0.1068000      -1.435600       1.840100    
 H    1.506100     -0.7734000       2.036200    
 H   0.5047000       1.237700       1.668000    
 H   0.6605000       2.471900      0.4043000    
 H   9.0800002E-02  2.2299999E-02  -3.586000    
 H  -0.2891000      -1.399000      -2.621100    
 H    3.589000      -2.324700       1.325100    
 H    3.203000      -3.951600      0.7846000    
 H   0.8056000      -3.555000       1.034800    
 H    1.618400      -3.126900       2.536900    
 H   -2.420300      0.2081000      -2.266000    
 H   -1.939200     -0.9244000      -1.009800    
 H    4.930700     -0.6838000     -0.8386000    
 H    2.823500       2.981200       1.813800    
 H   -2.433700       2.082700     -0.6076000    
 H   -1.920100       1.000700      0.6685000    
 H    5.268100       2.814400       1.630000    
 H    6.979600       1.726500      0.7659000    
 H   -4.713600       1.948100      -1.513600    
 H   -3.371600     -0.7187000       1.591600    
 H   -7.047300       1.326300      -1.042000    
 H   -5.711100      -1.342200       2.065100    
 H   -8.408800      9.5100001E-02  0.2023000    


%chk=000114197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114197

0 1
O 6.688354 0.763649 0.356208
O -7.842052 -0.672856 0.992046
N -0.460200 0.594397 -1.645465
C 2.185831 -1.002604 -0.827067
C 0.833069 -0.892551 -0.095657
C 0.529133 0.583739 -0.533382
C 1.779325 -0.679162 -2.364616
C 2.792752 -2.421844 -0.675027
C 0.867818 -1.334677 1.382334
C 3.058439 0.125420 -0.128308
C 0.930818 1.526231 0.608893
C 0.232036 -0.376607 -2.638822
C 2.821225 -2.888097 0.803704
C 1.422079 -2.781516 1.463490
C 2.470037 1.223419 0.635393
C -1.847129 0.171303 -1.345676
C 4.465829 0.034322 -0.181907
C 3.329742 2.116962 1.308167
C -2.557188 1.185509 -0.414012
C 5.298277 0.956084 0.491761
C 4.737018 1.998946 1.258300
C -3.961437 0.734230 -0.044224
C -5.101221 1.247670 -0.710235
C -4.167028 -0.249269 0.961172
C -6.404020 0.801774 -0.391103
C -5.456824 -0.707015 1.294581
C -6.577792 -0.179011 0.613662
H 0.109968 -1.575827 -0.583804
H 1.364998 0.887120 -1.176926
H 2.029886 -1.561014 -2.988520
H 2.396211 0.154229 -2.750536
H 3.801799 -2.492563 -1.125556
H 2.147885 -3.116947 -1.252773
H -0.151551 -1.292177 1.816547
H 1.509169 -0.676055 1.996070
H 0.449984 1.326720 1.584912
H 0.774609 2.592933 0.358465
H 0.137326 0.039758 -3.660248
H -0.310329 -1.348016 -2.631825
H 3.542189 -2.269427 1.373174
H 3.184974 -3.932798 0.855097
H 0.723183 -3.474479 0.949181
H 1.478034 -3.109159 2.519751
H -2.404888 0.104371 -2.299842
H -1.895073 -0.845632 -0.875666
H 4.954221 -0.767713 -0.743427
H 2.887190 2.944881 1.875418
H -2.577544 2.167363 -0.921354
H -1.945152 1.307048 0.500599
H 5.374715 2.715405 1.792068
H 7.186647 1.453839 0.860087
H -4.971925 2.010085 -1.487968
H -3.301521 -0.657578 1.498385
H -7.273292 1.217802 -0.917790
H -5.616274 -1.460321 2.071940
H -8.558529 -0.239196 0.465532


