%chk=000029264.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029264

0 1
 O    1.636400      0.1593000     -0.2891000    
 N    4.426800      0.4598000      6.5800004E-02
 C   -2.208800     -4.9300000E-02   1.011700    
 C   0.2971000      9.7700000E-02  0.1650000    
 C   -1.211400      1.8400000E-02   2.216500    
 C   0.2563000      0.1023000       1.715300    
 C   -1.760400      -1.269300      0.1824000    
 C   -1.910900       1.205300      0.1665000    
 C  -0.4128000      -1.185400     -0.2689000    
 C  -0.5632000       1.279500     -0.2866000    
 C   -3.645100     -0.1333000       1.538900    
 C   -2.533600      -2.377800     -0.1514000    
 C   -2.813600       2.206300     -0.1820000    
 C   0.1410000      -2.203100      -1.039800    
 C  -0.1393000       2.343300      -1.077300    
 C    2.412900     -0.9241000      0.2099000    
 C   -1.969500      -3.396600     -0.9230000    
 C   -2.378900       3.273600     -0.9711000    
 C  -0.6438000      -3.310200      -1.363300    
 C   -1.053300       3.341600      -1.415300    
 C    3.826900     -0.8039000     -0.3357000    
 C    5.773700      0.5950000     -0.4942000    
 C    4.473300      0.5709000       1.525800    
 H   -1.325600     -0.8646000       2.859800    
 H   -1.424900      0.8938000       2.844200    
 H   0.7417000       1.002300       2.115300    
 H   0.7724000     -0.7487000       2.171100    
 H   -3.789400      -1.021900       2.164200    
 H   -3.896300      0.7391000       2.153300    
 H   -4.373700     -0.1826000      0.7213000    
 H   -3.565400      -2.469800      0.1707000    
 H   -3.848200       2.177800      0.1429000    
 H    1.092000      -2.123600      -1.554000    
 H   0.8843000       2.408100      -1.432000    
 H    2.480900     -0.8938000       1.298300    
 H    2.092900      -1.939700      1.2400000E-02
 H   -2.569600      -4.261200      -1.193900    
 H   -3.077900       4.059100      -1.246100    
 H  -0.2368000      -4.094600      -1.996000    
 H  -0.7347000       4.178700      -2.030500    
 H    4.427900      -1.658000      2.4000001E-03
 H    3.776900     -0.8472000      -1.431000    
 H    5.742700      0.5399000      -1.588200    
 H    6.453300     -0.1830000     -0.1280000    
 H    6.199400       1.573000     -0.2434000    
 H    3.487300      0.7761000       1.953600    
 H    5.086000       1.431500       1.822200    
 H    4.902800     -0.3178000       2.002300    


%chk=000029264-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029264

0 1
O 1.596451 -0.021039 -0.011857
N 4.606799 0.505895 0.090078
C -2.412846 -0.079934 0.924396
C 0.196858 -0.094958 0.397764
C -1.563590 -0.091460 2.261423
C -0.031966 -0.105413 1.957986
C -1.942475 -1.308773 0.126622
C -1.918729 1.157104 0.150928
C -0.550289 -1.310378 -0.166957
C -0.524031 1.149081 -0.120894
C -3.915272 -0.068559 1.238063
C -2.751216 -2.368584 -0.330926
C -2.697084 2.258622 -0.258439
C 0.020218 -2.339178 -0.938340
C 0.096917 2.220135 -0.786783
C 2.563476 -0.823238 0.750860
C -2.176290 -3.417400 -1.090964
C -2.082433 3.338328 -0.940651
C -0.797474 -3.399179 -1.400912
C -0.692869 3.320531 -1.202093
C 3.892160 -0.784585 -0.014932
C 5.498394 0.764829 -1.055919
C 5.291635 0.686242 1.382672
H -1.851625 -0.981617 2.850603
H -1.833491 0.804266 2.850234
H 0.466226 0.783741 2.384537
H 0.435653 -1.005986 2.393629
H -4.201215 -0.963899 1.819355
H -4.180957 0.818574 1.840921
H -4.526006 -0.049869 0.316974
H -3.824878 -2.381158 -0.115624
H -3.773457 2.285188 -0.058110
H 1.081430 -2.296275 -1.203237
H 1.174563 2.181086 -0.968432
H 2.683118 -0.412950 1.773719
H 2.219051 -1.875844 0.838021
H -2.807043 -4.237780 -1.452039
H -2.688964 4.191215 -1.266840
H -0.362239 -4.201286 -2.007821
H -0.225413 4.160437 -1.728754
H 4.527666 -1.638843 0.342607
H 3.664753 -0.971857 -1.080534
H 4.919592 0.717233 -1.995000
H 6.353206 0.043616 -1.136186
H 5.924210 1.781100 -0.970322
H 4.574256 0.587476 2.216164
H 5.724328 1.701179 1.435135
H 6.118694 -0.052936 1.550873


