%chk=000170534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170534

0 1
 O    4.075700      0.1642000      0.2613000    
 N   -1.354500      -1.042200      0.1937000    
 C   2.6900001E-02 -0.7491000      0.2057000    
 C   0.9588000      -1.684000     -0.2451000    
 C    2.319500      -1.377300     -0.2265000    
 C    2.748100     -0.1356000      0.2429000    
 C   0.4554000      0.4925000      0.6751000    
 C    1.816000      0.7992000      0.6936000    
 C   -2.497800     -0.2349000      4.7499999E-02
 C   0.5276000      -3.021200     -0.7533000    
 C   -3.698000     -0.6018000      0.6602000    
 C   -2.436300      0.9360000     -0.7113000    
 C    4.433800       1.536100      0.1016000    
 C   -4.831400      0.1982000      0.5146000    
 C   -3.569700       1.736000     -0.8567000    
 C   -4.767200       1.367000     -0.2437000    
 C    5.793100       1.617100     -0.5597000    
 H    3.055000      -2.098500     -0.5746000    
 H  -0.2442000       1.229200       1.060300    
 H   -1.569200      -2.020000      0.3651000    
 H    2.109900       1.763700       1.097100    
 H    1.366000      -3.584200      -1.178100    
 H   0.1069000      -3.621100      6.0300000E-02
 H  -0.2182000      -2.911800      -1.547800    
 H   -3.761200      -1.509800       1.254600    
 H   -1.524200       1.236600      -1.219400    
 H    3.723300       2.071400     -0.5408000    
 H    4.471600       2.015100       1.086100    
 H   -5.763800     -8.8900000E-02  0.9917000    
 H   -3.521600       2.643400      -1.451600    
 H   -5.649900       1.989300     -0.3581000    
 H    6.104800       2.657500     -0.6883000    
 H    6.545600       1.095200      4.0700000E-02
 H    5.774900       1.129700      -1.540200    


%chk=000170534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170534

0 1
O 4.114708 0.215926 -0.291400
N -1.389605 -1.023595 0.244265
C -0.025646 -0.651961 0.099551
C 0.917192 -1.651415 -0.312926
C 2.278644 -1.305565 -0.413551
C 2.731725 0.006576 -0.133415
C 0.438689 0.652853 0.399027
C 1.803269 0.992961 0.275909
C -2.544671 -0.222935 0.121274
C 0.453756 -3.060831 -0.636122
C -3.762740 -0.700192 0.688710
C -2.562874 1.010925 -0.591114
C 4.636205 1.563357 -0.000625
C -4.958007 0.032468 0.548581
C -3.764844 1.738612 -0.715446
C -4.970816 1.264024 -0.148420
C 6.141298 1.519597 -0.252446
H 3.016518 -2.051589 -0.726978
H -0.266749 1.407076 0.759366
H -1.559790 -1.996138 0.503821
H 2.120214 2.012024 0.515626
H 1.281583 -3.663759 -1.044120
H 0.078235 -3.595317 0.261362
H -0.364818 -3.053632 -1.380964
H -3.763060 -1.646587 1.245279
H -1.652613 1.379225 -1.072354
H 4.139429 2.304112 -0.661722
H 4.413018 1.828680 1.054005
H -5.881494 -0.356427 0.992911
H -3.758770 2.682108 -1.273840
H -5.898298 1.836838 -0.250233
H 6.590763 2.508807 -0.049703
H 6.623314 0.774336 0.403121
H 6.351935 1.246437 -1.300530


