%chk=000043485.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043485

0 1
 O   -3.166800      -1.651400     -0.4479000    
 O    1.249500      2.2900000E-02 -0.3319000    
 N    3.733500      -2.652600      0.1576000    
 C   -4.584000      -1.539200     -0.1947000    
 C  -0.5151000       1.393300      0.5326000    
 C   0.4475000       2.480700      0.8799000    
 C   0.6745000       3.509000     -0.2423000    
 C   -2.792900      0.5651000      0.4890000    
 C   -2.343600     -0.6169000     -0.1033000    
 C  -7.1500003E-02  0.2123000     -5.8300000E-02
 C   -1.872100       1.570800      0.8063000    
 C    1.717100       4.569600      0.1250000    
 C   -5.041900     -0.2503000      0.4466000    
 C  -0.9844000     -0.7923000     -0.3764000    
 C   -4.207500      0.7399000      0.7693000    
 C   -4.952900      -2.715000      0.7176000    
 C   -5.277500      -1.702000      -1.552400    
 C    3.201200      -1.299700      9.3699999E-02
 C    1.732400      -1.318700     -0.2986000    
 C    1.932300       5.555400      -1.024000    
 C    3.599400      -3.324200      -1.137600    
 C    5.137200      -2.638000      0.5762000    
 C    2.994200       6.587800     -0.6804000    
 C    4.088800      -4.760600      -1.064500    
 C    5.302600      -1.946000       1.918600    
 H   9.2900001E-02   3.005600       1.777400    
 H    1.410200       2.044700       1.177100    
 H  -0.2770000       3.999100     -0.4848000    
 H   0.9967000       2.986300      -1.152000    
 H   -2.214100       2.496200       1.265800    
 H    2.666100       4.077800      0.3708000    
 H    1.390700       5.110500       1.021300    
 H   -6.102700     -0.1292000      0.6524000    
 H  -0.6807000      -1.713900     -0.8653000    
 H   -4.562500       1.654600       1.228600    
 H    3.244500     -0.7946000       1.065000    
 H    3.764400     -0.6680000     -0.6066000    
 H   -6.029900      -2.761700      0.9130000    
 H   -4.431500      -2.641000       1.679600    
 H   -4.642400      -3.667400      0.2721000    
 H   -4.991600     -0.8934000      -2.236100    
 H   -6.369100      -1.703200      -1.459000    
 H   -4.972500      -2.636900      -2.037300    
 H    1.576900      -1.712300      -1.306200    
 H    1.186600      -1.928700      0.4337000    
 H   0.9914000       6.068100      -1.255400    
 H    2.238000       5.014500      -1.927200    
 H    2.550800      -3.413400      -1.432600    
 H    4.127300      -2.788500      -1.936400    
 H    5.506500      -3.658300      0.7221000    
 H    5.781600      -2.154300     -0.1688000    
 H    3.956900       6.107900     -0.4770000    
 H    3.130800       7.283000      -1.514600    
 H    2.706000       7.168000      0.2020000    
 H    5.180500      -4.829900      -1.035300    
 H    3.674600      -5.287800     -0.1981000    
 H    3.767400      -5.304100      -1.960400    
 H    5.226000     -0.8570000       1.841200    
 H    4.575700      -2.305400       2.655100    
 H    6.301100      -2.157900       2.318100    


%chk=000043485-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043485

0 1
O -3.281592 -1.837490 0.396863
O 1.177291 0.136562 0.504033
N 3.966631 -2.287857 -0.026987
C -4.737321 -1.636518 0.022903
C -0.736574 1.538453 0.847629
C 0.199197 2.725043 0.998776
C 0.721309 3.272422 -0.358998
C -3.028835 0.584626 0.787417
C -2.473885 -0.695045 0.504923
C -0.222702 0.230595 0.582712
C -2.134831 1.674605 0.951964
C 1.707487 4.448450 -0.185913
C -5.289230 -0.373847 0.674061
C -1.080600 -0.881996 0.414364
C -4.476722 0.678376 0.979045
C -5.427564 -2.909261 0.538938
C -4.803469 -1.531042 -1.520186
C 3.295404 -1.005117 0.297764
C 1.772529 -1.195016 0.290441
C 2.227635 5.011612 -1.528262
C 4.151486 -2.482705 -1.491431
C 5.202064 -2.531238 0.763472
C 3.235548 6.167583 -1.347287
C 4.224076 -3.966267 -1.900111
C 4.909574 -2.916508 2.225859
H -0.324076 3.539909 1.537119
H 1.074292 2.434261 1.611197
H -0.140829 3.593659 -0.978269
H 1.219450 2.448846 -0.906211
H -2.550077 2.665051 1.179988
H 2.569841 4.112917 0.428087
H 1.217354 5.264277 0.386918
H -6.371503 -0.336549 0.844331
H -0.702769 -1.888203 0.218158
H -4.889611 1.602796 1.400880
H 3.601377 -0.665985 1.302874
H 3.566556 -0.188918 -0.411717
H -6.498712 -2.899958 0.267432
H -5.339830 -2.977614 1.636180
H -4.959044 -3.803163 0.092431
H -4.234475 -0.652815 -1.871935
H -5.851738 -1.416181 -1.851948
H -4.381256 -2.440709 -1.983788
H 1.428360 -1.608521 -0.679454
H 1.469853 -1.888092 1.099015
H 1.367267 5.361046 -2.134940
H 2.701812 4.192107 -2.106283
H 3.286806 -2.019478 -2.003156
H 5.059727 -1.942188 -1.861149
H 5.747125 -3.364211 0.283753
H 5.887512 -1.646344 0.734540
H 4.120319 5.834418 -0.772190
H 3.590549 6.553927 -2.320677
H 2.776899 7.010316 -0.796023
H 5.086424 -4.480925 -1.438952
H 3.306589 -4.492721 -1.584503
H 4.328302 -4.059377 -2.997352
H 4.368743 -2.115836 2.762661
H 4.288921 -3.828700 2.261190
H 5.852536 -3.106164 2.772101


