%chk=000005979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005979

0 1
 O    2.921400      -2.188500     -2.1100000E-02
 O   -1.716800      -3.454000      0.4792000    
 N    1.121400       2.760600      0.2756000    
 N   -1.151600      -1.315300     -0.2233000    
 C  -0.4710000      0.9627000     -0.1353000    
 C  -0.2092000     -0.3888000     -0.8271000    
 C   0.3544000       2.089100     -0.8192000    
 C    1.224200     -0.8343000     -0.9733000    
 C    2.163100      0.3706000      -1.198000    
 C    1.349300       1.519200      -1.859900    
 C  -0.1031000       1.071900       1.364200    
 C   -1.989300      0.8288000     -0.1604000    
 C   0.3733000       2.501100       1.506300    
 C    1.549700      -1.839700      0.1218000    
 C    2.811500      0.8716000      6.9600001E-02
 C    2.541600       2.335200      0.3784000    
 C   -2.328800     -0.5539000     -5.8800001E-02
 C   0.5939000      -3.033700     -6.1999999E-02
 C  -0.8862000      -2.633100      9.2299998E-02
 C    3.546000      9.0099998E-02  0.8849000    
 C   -2.964100       1.804400     -9.7800002E-02
 C    3.791700      -1.402800      0.8064000    
 C   -3.625400     -0.9695000      0.1577000    
 C   -4.286000       1.387200      8.1699997E-02
 C   -4.610000      2.1199999E-02  0.2180000    
 H  -0.5740000     -0.3080000      -1.869600    
 H  -0.3042000       2.825500      -1.292500    
 H    1.283400      -1.395400      -1.921200    
 H    2.961000      7.8699999E-02  -1.894100    
 H    2.016900       2.308700      -2.229700    
 H   0.8177000       1.155800      -2.748100    
 H   0.6962000      0.3919000       1.654400    
 H  -0.9324000      0.8831000       2.056700    
 H  -0.4839000       3.184100       1.553700    
 H   0.9562000       2.660700       2.419600    
 H    1.371100      -1.455900       1.131000    
 H    2.944300       2.616200       1.360100    
 H    3.119600       2.939300     -0.3338000    
 H   0.8261000      -3.796000      0.6911000    
 H   0.7302000      -3.507000      -1.041300    
 H    3.994700      0.5576000       1.760600    
 H   -2.717300       2.858700     -0.1457000    
 H    4.817300      -1.579200      0.4662000    
 H    3.718700      -1.814300       1.820400    
 H   -3.894700      -2.014800      0.2460000    
 H   -5.078400       2.129300      0.1412000    
 H   -5.648100     -0.2648000      0.3698000    


%chk=000005979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005979

0 1
O 2.961104 -2.253871 -0.000248
O -1.779731 -3.389219 0.613351
N 1.146435 2.775672 0.298303
N -1.187155 -1.326772 -0.300540
C -0.489652 0.943228 -0.141426
C -0.211090 -0.380563 -0.903671
C 0.361778 2.110074 -0.812261
C 1.229543 -0.866066 -1.017411
C 2.173151 0.374474 -1.217232
C 1.356516 1.540945 -1.857803
C -0.085508 1.006760 1.380810
C -2.029154 0.849992 -0.169876
C 0.377142 2.475941 1.538138
C 1.557190 -1.829701 0.133750
C 2.838119 0.865586 0.075956
C 2.590689 2.351560 0.363585
C -2.379154 -0.542700 -0.121814
C 0.595312 -3.031575 0.043092
C -0.894573 -2.616113 0.138750
C 3.582000 0.075887 0.901158
C -3.035072 1.820655 -0.062489
C 3.888287 -1.413945 0.794236
C -3.702110 -0.972812 0.068222
C -4.384904 1.400601 0.092168
C -4.706131 0.025663 0.171048
H -0.581870 -0.191646 -1.934101
H -0.308425 2.859163 -1.275437
H 1.311150 -1.476944 -1.938963
H 2.974877 0.065515 -1.914485
H 2.029453 2.351629 -2.190263
H 0.824192 1.193941 -2.761749
H 0.760802 0.342478 1.611661
H -0.927107 0.738735 2.040354
H -0.497145 3.154402 1.589153
H 0.994240 2.653041 2.435172
H 1.423205 -1.348112 1.120962
H 2.974749 2.631236 1.360377
H 3.152772 2.962810 -0.370331
H 0.771038 -3.749817 0.860966
H 0.765081 -3.574663 -0.907149
H 4.023401 0.540375 1.797206
H -2.788792 2.888387 -0.090957
H 4.877311 -1.585902 0.326259
H 3.935890 -1.826252 1.826770
H -3.935426 -2.037893 0.132818
H -5.182236 2.148858 0.160833
H -5.749791 -0.278743 0.307808


