%chk=000046916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046916

1 1
 O  -1.9400001E-02  0.9463000       1.226700    
 O   0.9749000      0.1373000     -0.7283000    
 N   -4.165500      -1.186900     -9.9100001E-02
 C   -3.228900      2.3700001E-02 -0.1046000    
 C   -4.385100      -1.643900      -1.538500    
 C   -5.486500     -0.7827000      0.5497000    
 C   -3.588100      -2.360100      0.6899000    
 C   -2.062000     -0.1010000      0.5722000    
 C   -3.645400       1.117800     -0.7861000    
 C   -1.208400       1.002200      0.5669000    
 C   -2.791900       2.220900     -0.7913000    
 C   -1.573400       2.163100     -0.1150000    
 C    2.311800      0.4606000       1.282800    
 C    1.054200      0.4772000      0.4447000    
 C    3.523800      5.4000001E-03  0.5123000    
 C    3.845400      -1.343900      0.4810000    
 C    4.299900      0.9423000     -0.1549000    
 C    4.967300      -1.765500     -0.2325000    
 C    5.421800      0.5206000     -0.8685000    
 C    5.755400     -0.8333000     -0.9073000    
 H   -3.410900      -1.848700      -1.994000    
 H   -4.988500      -2.557200      -1.516300    
 H   -4.926000     -0.8750000      -2.096900    
 H   -5.992000     -3.4800000E-02 -6.7199998E-02
 H   -6.118100      -1.674300      0.6176000    
 H   -5.280000     -0.3912000       1.551100    
 H   -3.463700      -2.073200       1.739200    
 H   -4.312500      -3.181500      0.6426000    
 H   -2.657200      -2.696400      0.2216000    
 H   -1.724000     -0.9702000       1.119000    
 H   -4.586300       1.188100      -1.317800    
 H   -3.075800       3.125100      -1.321800    
 H  -0.9134000       3.026300     -0.1228000    
 H    2.148200     -0.2021000       2.140900    
 H    2.482300       1.470600       1.674400    
 H    3.236800      -2.078100       1.001200    
 H    4.047400       1.998500     -0.1327000    
 H    5.226800      -2.819700     -0.2634000    
 H    6.035200       1.246200      -1.394600    
 H    6.628800      -1.161600      -1.463200    


%chk=000046916-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046916

1 1
O 0.110637 1.543172 0.472691
O 0.806323 -0.513809 -0.451541
N -4.031316 -1.174784 -0.505146
C -3.317028 0.099319 -0.036309
C -4.920473 -0.846477 -1.713776
C -4.893893 -1.727994 0.639462
C -3.059298 -2.278496 -0.929224
C -1.910858 0.147034 -0.033953
C -4.107626 1.191709 0.378979
C -1.284417 1.344075 0.401777
C -3.455543 2.369646 0.808838
C -2.050575 2.454234 0.822748
C 2.475313 1.203082 0.245189
C 1.101215 0.591992 0.031144
C 3.603808 0.183900 0.222875
C 4.155260 -0.291564 1.437980
C 4.111232 -0.307215 -1.005101
C 5.198627 -1.245027 1.426749
C 5.153428 -1.260037 -1.018679
C 5.699131 -1.732055 0.197820
H -4.284224 -0.445947 -2.516491
H -5.424198 -1.768084 -2.044239
H -5.666679 -0.093720 -1.426413
H -5.646380 -0.980965 0.925204
H -5.390189 -2.649045 0.296341
H -4.240095 -1.939670 1.498078
H -2.427307 -2.563415 -0.076176
H -3.654449 -3.145213 -1.254444
H -2.436423 -1.924586 -1.762990
H -1.276130 -0.678315 -0.350415
H -5.201470 1.161260 0.380394
H -4.053216 3.225838 1.134013
H -1.535814 3.360288 1.152976
H 2.449486 1.769193 1.192953
H 2.607632 1.962546 -0.552804
H 3.778207 0.088885 2.395542
H 3.695702 0.056420 -1.952875
H 5.623398 -1.600217 2.371739
H 5.543712 -1.628488 -1.973422
H 6.511490 -2.466569 0.187507


