%chk=000046164.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046164

0 1
 O   -2.407700      -4.207300     -6.3299999E-02
 O   -3.560400      -1.693700     -0.5225000    
 O   -4.692300       3.935600       1.130300    
 N   0.5648000      -2.089600      0.5932000    
 N    2.991100     -0.6621000      0.1093000    
 C   0.9984000      -1.804800     -0.7800000    
 C    1.735800      -2.303600       1.452400    
 C    1.872700     -0.5495000     -0.8319000    
 C    2.633700      -1.064500       1.475400    
 C  -0.3131000      -3.258900      0.6221000    
 C   -1.597800      -3.033800     -0.1788000    
 C    4.128000      0.1350000     -6.5200001E-02
 C   -2.409200      -1.833600      0.3044000    
 C    4.036300       1.410200     -0.6581000    
 C    5.398900     -0.3133000      0.3472000    
 C    5.169500       2.204700     -0.8319000    
 C    6.532100      0.4813000      0.1734000    
 C    6.417300       1.740300     -0.4161000    
 C   -4.054100     -0.4264000     -0.6804000    
 C    7.629000       2.589400     -0.6029000    
 C   -3.902700      0.5048000      0.3415000    
 C   -4.703800     -8.2199998E-02  -1.861000    
 C   -4.406800       1.795500      0.1807000    
 C   -5.207700       1.208500      -2.021700    
 C   -5.059300       2.147200      -1.000900    
 C   -4.252400       2.774300       1.245300    
 C   -3.540300       2.396500       2.539500    
 H    1.551900      -2.656600      -1.197700    
 H   0.1525000      -1.604900      -1.444100    
 H    1.414600      -2.511500       2.480300    
 H    2.315900      -3.171000       1.109100    
 H    2.241800     -0.4335000      -1.858700    
 H    1.267000      0.3326000     -0.5871000    
 H    2.117300     -0.2330000       1.972500    
 H    3.521500      -1.297800       2.074300    
 H  -0.5931000      -3.488400       1.659200    
 H   0.1972000      -4.157300      0.2485000    
 H   -1.395100      -2.943100      -1.250400    
 H   -2.745000      -2.000000       1.334900    
 H   -1.777000     -0.9393000      0.2562000    
 H    3.079300       1.810700     -0.9831000    
 H    5.514700      -1.296900      0.7971000    
 H   -3.227500      -4.046100     -0.5612000    
 H    5.067700       3.184200      -1.291600    
 H    7.499500      0.1066000      0.4970000    
 H    8.371100       2.396700      0.1793000    
 H    7.377400       3.654100     -0.5499000    
 H    8.084800       2.384600      -1.576700    
 H   -3.427500      0.2202000       1.273400    
 H   -4.821600     -0.8102000      -2.658600    
 H   -5.715600       1.482200      -2.941900    
 H   -5.460500       3.146200      -1.149800    
 H   -3.515500       3.268300       3.201100    
 H   -4.084900       1.599600       3.052500    
 H   -2.507800       2.102800       2.332700    


%chk=000046164-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046164

0 1
O -2.408360 -3.961359 -0.416353
O -3.462454 -1.374542 -0.915011
O -5.886839 3.604241 1.767682
N 0.704793 -1.974785 0.196212
N 3.298719 -0.685769 0.010588
C 1.458426 -1.937845 -1.083426
C 1.664598 -2.020499 1.329192
C 2.387895 -0.712137 -1.147948
C 2.577675 -0.785149 1.300453
C -0.285193 -3.078430 0.251311
C -1.557635 -2.771993 -0.558120
C 4.496210 0.078527 -0.063821
C -2.278555 -1.525029 -0.041512
C 4.796827 0.905327 -1.186150
C 5.470560 0.012000 0.977007
C 6.017104 1.611205 -1.262146
C 6.676636 0.732423 0.890420
C 6.985837 1.544481 -0.232152
C -4.349552 -0.315942 -0.662354
C 8.307693 2.286651 -0.332649
C -4.184953 0.627692 0.377534
C -5.462200 -0.234033 -1.536226
C -5.145361 1.662808 0.545570
C -6.410078 0.795142 -1.364100
C -6.259334 1.742547 -0.329410
C -5.018269 2.692423 1.637723
C -3.825939 2.621403 2.587503
H 2.073135 -2.864745 -1.209151
H 0.747887 -1.885348 -1.927705
H 1.095528 -2.028665 2.277201
H 2.297419 -2.942610 1.293232
H 2.983906 -0.783763 -2.074265
H 1.768405 0.214579 -1.205039
H 1.951598 0.123276 1.463574
H 3.297988 -0.849944 2.130305
H -0.583011 -3.235381 1.305092
H 0.127686 -4.047759 -0.116756
H -1.316400 -2.610166 -1.630478
H -2.606424 -1.676258 1.007179
H -1.619685 -0.639207 -0.111905
H 4.072699 1.026902 -1.997253
H 5.301638 -0.627753 1.849500
H -3.281377 -3.754292 -0.839822
H 6.209765 2.240345 -2.140626
H 7.401699 0.650785 1.710300
H 8.671588 2.603057 0.661484
H 8.217528 3.189489 -0.962801
H 9.096064 1.650892 -0.782238
H -3.323612 0.565440 1.047800
H -5.561505 -0.976465 -2.334275
H -7.268244 0.854554 -2.041870
H -6.982428 2.549329 -0.175938
H -3.898865 3.443318 3.315383
H -3.806436 1.658260 3.131081
H -2.871703 2.711969 2.035472


