%chk=000034569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034569

0 1
 O    1.457800       2.240700     -0.1851000    
 O    1.421500      -2.548600     -0.4371000    
 N   2.9400000E-02 -0.1294000     -0.5747000    
 N  -0.6065000     -0.1812000      0.5036000    
 C    1.410700     -0.1534000     -0.3170000    
 C   -2.675400       1.052100      0.1790000    
 C   -1.983000     -0.1570000      0.2474000    
 C    2.101900       1.041000     -0.1265000    
 C    2.083400      -1.371600     -0.2529000    
 C    3.472800       1.017100      0.1293000    
 C    3.454500      -1.395300      2.7999999E-03
 C   -4.046300       1.057200     -7.8000002E-02
 C   -2.662000      -1.360900      5.8899999E-02
 C    4.149200     -0.2010000      0.1941000    
 C   -1.969900       2.354100      0.3762000    
 C   -4.725100     -0.1467000     -0.2667000    
 C   -4.033000      -1.355700     -0.1982000    
 C    2.247000       3.410100      2.2399999E-02
 C   0.8731000      -3.171400      0.7225000    
 H    4.078300       1.902700      0.2882000    
 H    3.988200      -2.340600      5.4099999E-02
 H   -4.599900       1.990600     -0.1365000    
 H   -2.133700      -2.309000      0.1104000    
 H    5.216800     -0.2209000      0.3932000    
 H   -1.372200       2.597400     -0.5077000    
 H   -2.677000       3.175100      0.5390000    
 H   -1.318900       2.319400       1.256100    
 H   -5.792400     -0.1429000     -0.4674000    
 H   -4.561500      -2.293100     -0.3451000    
 H    3.007800       3.528000     -0.7567000    
 H    1.574000       4.270200     -5.9099998E-02
 H    2.673300       3.436200       1.031000    
 H    1.648200      -3.768000       1.213300    
 H   6.7599997E-02  -3.839300      0.4055000    
 H   0.4699000      -2.445200       1.434300    


%chk=000034569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034569

0 1
O 1.993154 1.937645 -1.483269
O 1.198246 -1.766448 1.632334
N 0.195051 0.400312 -0.324998
N -0.760482 -0.011448 0.472266
C 1.534283 0.121893 0.018631
C -3.168969 -0.306758 0.701002
C -2.079695 0.235645 -0.051053
C 2.509799 0.880578 -0.733843
C 2.030868 -0.936334 0.864195
C 3.885076 0.559515 -0.689647
C 3.404177 -1.270248 0.866702
C -4.484058 -0.075157 0.226993
C -2.320703 0.987232 -1.236454
C 4.321161 -0.527468 0.099300
C -2.936828 -1.114773 1.963408
C -4.724552 0.674079 -0.946165
C -3.635836 1.208553 -1.679651
C 2.922295 2.688752 -2.334584
C 0.658744 -1.164784 2.870527
H 4.613857 1.138902 -1.261935
H 3.724474 -2.111019 1.488920
H -5.329285 -0.490446 0.788557
H -1.454273 1.383116 -1.775561
H 5.385772 -0.783948 0.124079
H -2.523854 -0.481506 2.770520
H -3.881181 -1.558096 2.323728
H -2.205104 -1.922979 1.791983
H -5.752820 0.840679 -1.286805
H -3.819569 1.792991 -2.588177
H 3.415720 2.028412 -3.073460
H 2.292992 3.425666 -2.854152
H 3.688166 3.212483 -1.730402
H 1.490247 -0.817363 3.514102
H 0.109429 -1.977922 3.369599
H -0.027700 -0.339057 2.615912


