%chk=000040337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040337

0 1
 O    2.463400      -1.968300     -0.2503000    
 N   -2.897600       1.922400     -0.8774000    
 N   0.4094000      -2.866700     -0.8642000    
 C   0.6385000     -0.4411000     -0.3751000    
 C   0.1361000     -9.6199997E-02  -1.802800    
 C   -2.107100      0.6930000      -1.012200    
 C  -0.8406000       1.070800      -1.786900    
 C  -0.5431000     -0.5430000      0.6058000    
 C   -1.817000     -4.4000000E-03  0.3078000    
 C    1.710400      0.5877000      4.6599999E-02
 C    1.261000      -1.827000     -0.4890000    
 C  -0.3470000      -1.171100       1.856500    
 C   -2.862600     -0.1855000       1.236300    
 C    1.541300       1.310700       1.220000    
 C    2.830200      0.7766000     -0.7525000    
 C   -1.388200      -1.308700       2.771800    
 C   -3.127500       2.522900      -2.189100    
 C   -2.220000       2.865200      9.2000002E-03
 C   -2.649400     -0.8248000       2.456900    
 C    2.509400       2.239700       1.601200    
 C    3.798300       1.705700     -0.3712000    
 C   0.8780000      -4.027000      -1.611300    
 C   -1.013800      -2.868000     -0.5358000    
 C    3.637900       2.437100      0.8057000    
 H  -0.3579000     -0.9358000      -2.304400    
 H   0.9630000      0.1495000      -2.479900    
 H   -2.679800     -2.9200001E-02  -1.611100    
 H  -0.3010000       1.934900      -1.391100    
 H   -1.066900       1.290600      -2.837300    
 H   0.6293000      -1.567500       2.128600    
 H   -3.863300      0.1785000       1.012800    
 H   0.6760000       1.229800       1.865700    
 H    2.989800      0.2168000      -1.669100    
 H   -1.214300      -1.801500       3.723600    
 H   -2.259600       3.038400      -2.615500    
 H   -3.916400       3.279200      -2.095900    
 H   -3.503300       1.788000      -2.910500    
 H   -2.911000       3.691400      0.2214000    
 H   -1.322500       3.332200     -0.4071000    
 H   -1.971500       2.452700      0.9916000    
 H   -3.469300     -0.9416000       3.159300    
 H    2.381800       2.815000       2.513500    
 H    4.678100       1.858400     -0.9895000    
 H   0.7136000      -4.926500      -1.011500    
 H   0.3222000      -4.094300      -2.551000    
 H    1.944100      -3.931900      -1.834400    
 H   -1.445200      -3.782400     -0.9682000    
 H   -1.183300      -3.001100      0.5293000    
 H   -1.576100      -2.083400      -1.029000    
 H    4.391100       3.161400       1.101800    


%chk=000040337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040337

0 1
O 2.505177 -2.156711 -0.280626
N -2.918679 2.076405 -0.755098
N 0.487131 -3.051614 -0.954065
C 0.629946 -0.534987 -0.434075
C 0.141233 -0.075505 -1.853984
C -2.036425 0.897289 -0.985012
C -0.720270 1.196956 -1.752763
C -0.545230 -0.555280 0.566984
C -1.764504 0.140939 0.328783
C 1.717130 0.479815 0.029680
C 1.273780 -1.971870 -0.542022
C -0.379891 -1.256692 1.790688
C -2.790265 0.090205 1.307996
C 1.521272 1.348010 1.131674
C 2.921835 0.608239 -0.713350
C -1.403375 -1.299422 2.757361
C -3.602073 2.559197 -1.967854
C -2.316834 3.170289 0.032660
C -2.621747 -0.621423 2.512558
C 2.494304 2.313879 1.483365
C 3.892880 1.569227 -0.367167
C 1.144937 -4.365009 -1.111296
C -0.962346 -3.082648 -1.207192
C 3.684849 2.431295 0.735692
H -0.444963 -0.873438 -2.345575
H 1.024531 0.107151 -2.490878
H -2.635816 0.213470 -1.629002
H -0.147916 1.988465 -1.235251
H -0.962097 1.568801 -2.766338
H 0.571843 -1.767404 1.981529
H -3.712571 0.642980 1.097678
H 0.610179 1.271019 1.732637
H 3.115764 -0.067034 -1.551999
H -1.251813 -1.849991 3.692543
H -2.927666 3.055053 -2.709898
H -4.375366 3.296007 -1.681676
H -4.105752 1.715667 -2.474765
H -3.111605 3.874153 0.341799
H -1.542167 3.755033 -0.519909
H -1.849905 2.759842 0.944161
H -3.427812 -0.645492 3.254692
H 2.316775 2.970626 2.342895
H 4.817486 1.639176 -0.951528
H 0.785464 -5.075741 -0.341421
H 0.919374 -4.783238 -2.110784
H 2.230134 -4.231304 -0.997305
H -1.175138 -3.208896 -2.288340
H -1.405934 -3.943417 -0.670258
H -1.461034 -2.177442 -0.841193
H 4.440771 3.176973 1.007353


