%chk=000056509.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056509

0 1
 O  -0.3709000       1.235500      0.4242000    
 O    2.082400       1.767700      -2.135700    
 O   6.3500002E-02   3.020000     -0.9658000    
 N   -4.504800      0.5788000      0.4395000    
 C   -1.752300       1.556800      0.5248000    
 C   -2.460600       1.232800     -0.7876000    
 C   -2.366900      0.7556000       1.668100    
 C   -3.974100       1.400400     -0.6578000    
 C   -3.883200      0.9373000       1.722500    
 C   -5.959200      0.7116000      0.5209000    
 C   0.3208000       1.894700     -0.5539000    
 C    1.475400       1.036000      -1.067300    
 C    2.513400      0.8406000      3.7099998E-02
 C   0.3047000      -3.688000      -1.606100    
 C   0.9600000     -0.2267000      -1.634800    
 C  -0.3518000      -3.458100     -0.2391000    
 C   3.8400002E-02  -2.543900      -2.588100    
 C    2.437400     -0.2872000      0.8234000    
 C    3.486700       1.799600      0.2064000    
 C  -8.4600002E-02  -4.589700      0.7558000    
 C   0.5420000      -1.261100      -2.080100    
 C    3.384400     -0.4655000       1.831900    
 C    4.434000       1.621400       1.214700    
 C  -0.7174000      -4.357300       2.119400    
 C    4.382800      0.4889000       2.027500    
 H   -1.854500       2.625700      0.7551000    
 H   -2.105700       1.871600      -1.603600    
 H   -2.226000      0.2038000      -1.091700    
 H   -2.118900     -0.3082000       1.551200    
 H   -1.915300       1.061500       2.619600    
 H   -4.434200       1.094300      -1.605300    
 H   -4.215700       2.460600     -0.5052000    
 H   -4.276100      0.2926000       2.518100    
 H   -4.120300       1.974000       1.995800    
 H   -6.361700      6.1000001E-02   1.305300    
 H   -6.427600      0.3963000     -0.4181000    
 H   -6.270000       1.741000      0.7330000    
 H    1.386800      -3.809600      -1.469500    
 H  -7.0600003E-02  -4.623200      -2.038800    
 H   -1.435300      -3.351400     -0.3761000    
 H  -9.9999997E-05  -2.522100      0.2046000    
 H   -1.038000      -2.467000      -2.780600    
 H   0.5186000      -2.774500      -3.545800    
 H    1.422900       1.883600      -2.841700    
 H   0.9975000      -4.710900      0.8855000    
 H  -0.4637000      -5.532700      0.3444000    
 H    1.663000      -1.036200      0.7143000    
 H    3.537900       2.696000     -0.4032000    
 H    3.341300      -1.344400       2.468500    
 H    5.209100       2.366100       1.369800    
 H   -1.804800      -4.265700       2.034100    
 H  -0.3306000      -3.441500       2.577700    
 H  -0.4964000      -5.194000       2.789300    
 H    5.119000      0.3512000       2.814000    


%chk=000056509-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056509

0 1
O -0.341962 1.014231 0.016005
O 2.414378 1.714643 -2.289419
O -0.143810 2.404230 -1.848082
N -4.433395 0.804118 1.182664
C -1.760864 1.471853 0.250415
C -2.719402 0.646723 -0.621087
C -2.046904 1.269246 1.739949
C -4.174993 1.015470 -0.261844
C -3.524970 1.616976 2.026037
C -5.852805 1.009410 1.531329
C 0.314185 1.533151 -1.065502
C 1.732402 0.888831 -1.286137
C 2.563830 0.926386 0.009959
C 0.791277 -4.018578 -1.673360
C 1.486902 -0.479332 -1.793933
C -0.402382 -3.742527 -0.732705
C 0.970281 -2.944660 -2.785637
C 2.559329 -0.159940 0.915009
C 3.307678 2.090543 0.315748
C -0.554093 -4.810730 0.373311
C 1.248200 -1.598142 -2.256108
C 3.289320 -0.081041 2.121415
C 4.039011 2.166879 1.521767
C -1.739126 -4.526953 1.321817
C 4.030099 1.083324 2.430393
H -1.812980 2.541830 -0.030706
H -2.534564 0.843108 -1.692250
H -2.554363 -0.427954 -0.421232
H -1.861257 0.213172 2.006360
H -1.379710 1.903638 2.350778
H -4.870323 0.379876 -0.840155
H -4.372106 2.079714 -0.562496
H -3.752560 1.410596 3.087792
H -3.687400 2.716466 1.860860
H -6.012366 0.771796 2.598219
H -6.485014 0.329854 0.932436
H -6.205880 2.057076 1.353339
H 1.724298 -4.080153 -1.079336
H 0.657446 -5.003358 -2.164632
H -1.338630 -3.694876 -1.328078
H -0.277609 -2.744109 -0.266281
H 0.054409 -2.910224 -3.410150
H 1.798635 -3.245707 -3.457245
H 1.702046 2.153984 -2.833998
H 0.386212 -4.862017 0.959612
H -0.682901 -5.808337 -0.094571
H 1.989061 -1.062757 0.672037
H 3.329593 2.910131 -0.408168
H 3.284073 -0.927814 2.817172
H 4.620376 3.067811 1.748405
H -2.695844 -4.504154 0.766497
H -1.620224 -3.546663 1.821087
H -1.823474 -5.299304 2.108315
H 4.599569 1.142365 3.364983


