%chk=000027494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027494

0 1
 O   -1.227400       1.605100      -1.165200    
 O    3.850200      -2.030800      8.4399998E-02
 N   -2.834300      0.3700000     -3.4600001E-02
 N    1.853400     -0.3488000       1.000200    
 N    3.150200      7.7000000E-02  0.7559000    
 N    8.001600      0.6620000     -0.3286000    
 C   -3.977800      0.9496000     -0.6980000    
 C   -5.271600      0.4022000     -0.1683000    
 C  -0.5191000     -1.3000000E-03  0.5028000    
 C   -5.849900     -0.7276000     -0.7370000    
 C   0.9140000      0.4128000      0.1864000    
 C   -1.535700      0.7565000     -0.3328000    
 C   -5.882400       1.046500      0.9026000    
 C   -7.052500      -1.218900     -0.2290000    
 C   -5.208000      -1.430800      -1.887800    
 C   -7.084900      0.5551000       1.410700    
 C   -7.669900     -0.5775000      0.8448000    
 C    4.077600     -0.8426000      0.2986000    
 C    5.450100     -0.3163000      7.9499997E-02
 C    6.517000      -1.177300      0.1792000    
 C    5.612600       1.015900     -0.2170000    
 C    7.775300     -0.6379000     -3.4100000E-02
 C    6.911500       1.457200     -0.4126000    
 H   -3.935200       2.036100     -0.5471000    
 H   -3.869900      0.8057000      -1.778400    
 H  -0.7429000      0.1838000       1.560800    
 H  -0.6537000      -1.073400      0.3123000    
 H    1.031500       1.488600      0.3709000    
 H    1.117700      0.2408000     -0.8782000    
 H   -2.986600     -0.3478000      0.6688000    
 H   -5.436000       1.928500       1.353700    
 H   -7.522600      -2.099600     -0.6585000    
 H   -4.172500      -1.700000      -1.656200    
 H   -5.728600      -2.364300      -2.129900    
 H   -5.233500     -0.8032000      -2.784400    
 H    1.667400     -0.1801000       1.988300    
 H   -7.565500       1.054200       2.247100    
 H   -8.606300     -0.9599000       1.240400    
 H    3.378100       1.034900       1.001300    
 H    6.407100      -2.229000      0.4166000    
 H    4.797400       1.719100     -0.3345000    
 H    8.663500      -1.257900      2.9899999E-02
 H    7.115100       2.494500     -0.6574000    


%chk=000027494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027494

0 1
O -1.855935 2.643645 -0.298718
O 3.343647 -1.297613 1.840855
N -3.070815 1.256196 1.123695
N 1.772196 1.038803 1.392640
N 2.929251 0.697013 0.666665
N 7.020044 -1.331712 -1.710307
C -4.380576 1.525700 0.492500
C -5.129042 0.256561 0.104356
C -0.644473 1.483873 1.497441
C -4.654180 -0.605870 -0.931985
C 0.556537 1.218596 0.566883
C -1.897165 1.846055 0.691052
C -6.334824 -0.059350 0.779110
C -5.415377 -1.758875 -1.250974
C -3.362573 -0.326749 -1.681938
C -7.080088 -1.213401 0.451887
C -6.614401 -2.068940 -0.570524
C 3.620878 -0.492572 0.910399
C 4.784020 -0.736760 -0.031223
C 5.852929 -1.542039 0.433026
C 4.847587 -0.252648 -1.363196
C 6.939581 -1.804554 -0.428244
C 5.974026 -0.574687 -2.155122
H -5.004144 2.123543 1.185338
H -4.159294 2.162804 -0.383220
H -0.412477 2.349810 2.151888
H -0.805396 0.609972 2.154013
H 0.629555 2.055821 -0.163684
H 0.396518 0.286033 -0.003143
H -3.041852 0.595086 1.902376
H -6.696007 0.613835 1.567216
H -5.061326 -2.421425 -2.050228
H -2.483238 -0.652009 -1.092410
H -3.339096 -0.872111 -2.641053
H -3.215936 0.747805 -1.890223
H 1.947972 1.802790 2.060076
H -8.011112 -1.438560 0.983346
H -7.181224 -2.966945 -0.840836
H 3.284153 1.340518 -0.053768
H 5.812148 -1.955317 1.445097
H 4.032293 0.328484 -1.808583
H 7.784265 -2.417133 -0.094587
H 6.047452 -0.222574 -3.190292


