%chk=000075002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075002

0 1
 O    3.065200     -0.2164000      -1.456600    
 O   -1.352900     -0.4402000       1.997000    
 O   -3.750600      -2.095900      0.2229000    
 O   -6.621800       1.149100      -1.282900    
 N  -0.1043000      0.4362000      0.2471000    
 N   -2.397300      0.5175000      0.1598000    
 N   -4.704500       1.237200      5.4900002E-02
 N   -5.408400     -0.7432000     -0.6814000    
 C    1.661500      -1.266600      0.3670000    
 C    1.205500      0.1367000      0.7907000    
 C    2.155100      -1.268600      -1.104900    
 C    2.197000       1.174300      0.3499000    
 C    2.691100      -1.869800       1.305100    
 C    3.036700      0.9436000     -0.7405000    
 C    2.882100      -2.549300      -1.441800    
 C    2.265600       2.408500       1.015700    
 C    3.555000      -2.800500      0.8716000    
 C    3.526700      -3.253700     -0.4993000    
 C    3.939300       1.930100      -1.151900    
 C   -1.289100      0.1189000      0.9030000    
 C    3.165600       3.390600      0.6029000    
 C   -3.754700      0.3102000      0.6063000    
 C    4.003500       3.150700     -0.4818000    
 C   -4.276100      -1.004700      5.2900001E-02
 C   -5.690300      0.6052000     -0.7058000    
 H   0.7946000      -1.942100      0.4366000    
 H    1.121200      0.1665000       1.885300    
 H    1.284800      -1.180300      -1.767700    
 H    2.694000      -1.581200       2.351600    
 H  -0.1643000      0.8563000     -0.6759000    
 H    2.901400      -2.880000      -2.475600    
 H    1.613100       2.611000       1.861600    
 H    4.269500      -3.256900       1.547200    
 H    4.066400      -4.159700     -0.7505000    
 H    4.599100       1.751700      -1.997500    
 H    3.210900       4.340900       1.126300    
 H   -3.827400      0.3183000       1.697800    
 H    4.705900       3.912700     -0.8062000    
 H   -2.251100      0.9450000     -0.7492000    
 H   -4.673600       2.239600      0.2113000    
 H   -5.955300      -1.449600      -1.160100    


%chk=000075002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075002

0 1
O 3.412977 -0.437249 -1.160608
O -1.452774 -0.796405 1.227057
O -4.682805 0.057323 -2.564855
O -6.326632 0.796465 1.798235
N -0.099452 0.399047 -0.259410
N -2.422852 0.181250 -0.646688
N -4.266667 -0.089447 0.979047
N -5.842111 0.459619 -0.524343
C 1.679005 -1.186532 0.542615
C 1.115385 0.261229 0.589423
C 2.357097 -1.472256 -0.808871
C 2.152411 1.273869 0.133116
C 2.569193 -1.527678 1.721894
C 3.221366 0.874496 -0.715639
C 3.092835 -2.794212 -0.811791
C 2.074489 2.630026 0.536193
C 3.466946 -2.553007 1.624679
C 3.632068 -3.272271 0.351819
C 4.185849 1.820223 -1.148421
C -1.317535 -0.108217 0.158260
C 3.025431 3.578304 0.108636
C -3.693463 -0.458477 -0.319833
C 4.084840 3.162485 -0.738024
C -4.786687 0.029180 -1.314803
C -5.548052 0.426026 0.893541
H 0.802672 -1.869678 0.602974
H 0.806785 0.470599 1.631903
H 1.602372 -1.414694 -1.617004
H 2.412035 -0.992186 2.666683
H -0.026567 0.990936 -1.088580
H 3.265836 -3.294037 -1.770262
H 1.254732 2.934868 1.199380
H 4.064009 -2.862719 2.489661
H 4.224842 -4.195080 0.343365
H 4.999076 1.478169 -1.795778
H 2.951437 4.621348 0.432356
H -3.584420 -1.560757 -0.374018
H 4.835125 3.886605 -1.074593
H -2.356865 0.688651 -1.532224
H -3.775075 -0.287262 1.850477
H -6.717756 0.843545 -0.880670


