%chk=000058447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058447

0 1
 O  -0.5724000      0.6187000     -0.2179000    
 O   -1.114300     -0.9065000       1.395600    
 N    1.560300       2.721800      0.1152000    
 N   -2.790200      3.3799998E-02  8.5699998E-02
 C   0.8101000      0.4918000      0.1415000    
 C    1.663000       1.489900     -0.6883000    
 C   0.9349000      0.9975000       1.596200    
 C    1.748900       2.283300       1.500500    
 C    1.270600     -0.9487000     -4.6500001E-02
 C    1.180800       1.676600      -2.126700    
 C    2.534100       3.741900     -0.2552000    
 C    2.272500      -1.474000      0.7704000    
 C   0.6912000      -1.743700      -1.036100    
 C   -1.464500     -0.1467000      0.4940000    
 C    2.694400      -2.792400      0.5980000    
 C    1.113000      -3.062100      -1.208400    
 C    2.114700      -3.586300     -0.3914000    
 C   -3.896600     -0.6833000      0.7120000    
 C   -3.148300      0.9480000     -0.9894000    
 C   -4.170800      -1.999400      1.4000000E-02
 C   -3.431100       2.339900     -0.4629000    
 H    2.709700       1.152700     -0.7086000    
 H    1.375200      0.3203000       2.330100    
 H  -4.1000001E-02   1.283500       2.010800    
 H    1.400900       3.034500       2.217100    
 H    2.803300       2.063400       1.712900    
 H    1.855700       2.334100      -2.684500    
 H    1.150400      0.7205000      -2.657900    
 H   0.1801000       2.120000      -2.168500    
 H    3.564700       3.372400     -0.2088000    
 H    2.450900       4.606700      0.4127000    
 H    2.345900       4.113700      -1.267300    
 H    2.791300     -0.8805000       1.515400    
 H  -7.7500001E-02  -1.357900      -1.699800    
 H    3.483300      -3.197200       1.225200    
 H   0.6650000      -3.679100      -1.981900    
 H    2.445800      -4.611600     -0.5282000    
 H   -3.632100     -0.8858000       1.755900    
 H   -4.789200     -4.8799999E-02  0.7167000    
 H   -2.336100      0.9961000      -1.722400    
 H   -4.024500      0.5559000      -1.517900    
 H   -3.286300      -2.644900      2.7899999E-02
 H   -4.450800      -1.843000      -1.032700    
 H   -4.989000      -2.530800      0.5097000    
 H   -2.556000       2.754300      4.8700001E-02
 H   -4.261200       2.334500      0.2508000    
 H   -3.694300       3.012000      -1.285500    


%chk=000058447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058447

0 1
O -0.636021 0.456946 -0.181736
O -1.373839 -0.951037 1.572999
N 1.447229 2.680291 0.219317
N -2.875634 0.042273 0.061775
C 0.783528 0.372445 0.273562
C 1.548965 1.439136 -0.596944
C 0.921051 0.923673 1.734732
C 1.736210 2.230668 1.603709
C 1.342596 -1.032805 0.021867
C 1.054946 1.596909 -2.039155
C 2.290175 3.797681 -0.234273
C 2.563793 -1.428640 0.625233
C 0.719294 -1.923488 -0.886147
C -1.619640 -0.219279 0.574525
C 3.133795 -2.690376 0.349389
C 1.286673 -3.186549 -1.164029
C 2.495856 -3.578399 -0.546741
C -4.045235 -0.570942 0.730318
C -3.099617 0.955204 -1.084415
C -4.522212 -1.863175 0.033478
C -3.072382 2.445702 -0.681289
H 2.617108 1.090474 -0.622884
H 1.382645 0.189243 2.411848
H -0.083152 1.133511 2.130542
H 1.433499 3.000793 2.335095
H 2.831179 2.029793 1.747890
H 1.732984 2.249364 -2.618386
H 1.024710 0.614473 -2.542281
H 0.042595 2.031244 -2.051010
H 3.379973 3.537924 -0.271330
H 2.166657 4.652714 0.453974
H 1.980322 4.129468 -1.239801
H 3.075607 -0.752675 1.320518
H -0.219881 -1.630606 -1.366494
H 4.073604 -2.979852 0.833368
H 0.782139 -3.865800 -1.860716
H 2.934270 -4.559800 -0.759590
H -3.755423 -0.795097 1.770661
H -4.858828 0.179349 0.754656
H -2.330957 0.764730 -1.852537
H -4.080966 0.693641 -1.522748
H -3.723243 -2.624145 0.055600
H -4.799581 -1.676647 -1.020509
H -5.407800 -2.274937 0.552022
H -2.076684 2.714062 -0.288203
H -3.830508 2.663060 0.093167
H -3.285301 3.084579 -1.558826


