%chk=000080889.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080889

0 1
 O    6.654500     -0.3403000     -0.2823000    
 O   -6.573100      0.4391000     -0.4263000    
 O  -5.6400001E-02 -0.9192000      -1.303500    
 O    6.412500       1.666300      0.8195000    
 O   -6.559900      -1.532400      0.7620000    
 N   0.3554000     -0.2439000     -0.2981000    
 N  -0.3882000      0.2467000      0.6224000    
 C    1.785000     -7.8999996E-03 -0.1531000    
 C    4.491100      0.4389000      0.1218000    
 C   -1.769300      4.5000002E-02  0.5344000    
 C    2.666700     -0.9402000     -0.6572000    
 C    2.207600       1.139600      0.4835000    
 C   -4.524500     -0.3572000      0.3609000    
 C    4.036000     -0.7140000     -0.5180000    
 C    3.577000       1.365700      0.6225000    
 C   -2.567600      0.9677000     -0.1419000    
 C   -2.348800      -1.078500       1.123900    
 C   -3.945100      0.7666000     -0.2286000    
 C   -3.726400      -1.279700       1.037000    
 C    5.918800      0.6741000      0.2672000    
 C   -5.960800     -0.5666000      0.2705000    
 C    8.079100     -0.2241000     -0.2009000    
 C   -7.993200      0.3462000     -0.5829000    
 C    8.710800      -1.432500     -0.8584000    
 C   -8.481100       1.540700      -1.374600    
 H    2.329300      -1.846400      -1.150800    
 H    1.516000       1.881800      0.8705000    
 H    4.710900      -1.463700     -0.9216000    
 H    3.910600       2.271600       1.121900    
 H   -2.124500       1.846200     -0.6037000    
 H   -1.734900      -1.802600       1.653200    
 H   -4.526900       1.511000     -0.7648000    
 H   -4.157400      -2.161800       1.503300    
 H    8.380200     -0.1735000      0.8513000    
 H    8.399300      0.6888000     -0.7151000    
 H   -8.467800      0.3356000      0.4045000    
 H   -8.240500     -0.5788000      -1.115200    
 H    8.402400      -1.505900      -1.906600    
 H    8.383600      -2.354100     -0.3658000    
 H    9.802000      -1.376300     -0.8142000    
 H   -7.999500       1.574000      -2.357400    
 H   -8.223200       2.473600     -0.8626000    
 H   -9.565100       1.501700      -1.513400    


%chk=000080889-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080889

0 1
O 6.845394 -0.350554 -0.391840
O -6.756710 0.396626 -0.557516
O 0.064771 -0.005164 -1.715212
O 6.510556 -0.322578 1.915487
O -6.772015 0.384831 1.774672
N 0.399331 -0.019598 -0.437256
N -0.410099 0.025761 0.610703
C 1.836906 -0.093533 -0.117241
C 4.589863 -0.231848 0.412074
C -1.811617 0.102787 0.455643
C 2.745096 -0.147934 -1.197789
C 2.279619 -0.107467 1.226426
C -4.649212 0.265595 0.577076
C 4.124876 -0.217182 -0.927767
C 3.659822 -0.176817 1.483251
C -2.582307 0.147073 -0.752321
C -2.491213 0.140336 1.715523
C -3.985012 0.228220 -0.675942
C -3.887196 0.220140 1.776437
C 6.043752 -0.304409 0.748925
C -6.133471 0.352562 0.691659
C 8.319738 -0.426182 -0.149232
C -8.248651 0.485896 -0.537994
C 8.991036 -0.462074 -1.517560
C -8.706606 0.526343 -1.991927
H 2.355785 -0.134816 -2.218242
H 1.545954 -0.063948 2.033021
H 4.849252 -0.260264 -1.744913
H 4.041070 -0.189310 2.509126
H -2.077531 0.117803 -1.716746
H -1.883988 0.105384 2.624980
H -4.580829 0.263618 -1.592114
H -4.414524 0.249518 2.734975
H 8.523958 -1.331781 0.450102
H 8.616041 0.454935 0.448190
H -8.533505 1.394065 0.023618
H -8.640763 -0.391390 0.007779
H 8.754619 0.445900 -2.098235
H 8.663751 -1.342761 -2.096149
H 10.087699 -0.517608 -1.392141
H -8.393348 -0.384409 -2.530370
H -8.286597 1.402938 -2.514119
H -9.809095 0.592598 -2.033742


