%chk=000145536.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145536

0 1
 O   -3.312500      0.5185000      0.1305000    
 N    2.731700      5.7300001E-02 -0.4752000    
 N    2.200700      0.1661000      0.6551000    
 C    6.117000      -1.365700     -7.2099999E-02
 C    6.284300       1.039500     -0.2265000    
 C    6.893600     -0.2072000     -8.4399998E-02
 C    4.128100     -3.1399999E-02 -0.3432000    
 C    4.731000      -1.277600     -0.2020000    
 C    4.898300       1.127700     -0.3562000    
 C   -4.037700     -0.7049000      0.1510000    
 C   -5.489200     -0.4236000     -4.5100000E-02
 C   -1.951300      0.4314000      0.2603000    
 C    6.768300      -2.698800      8.0300003E-02
 C    7.114900       2.278400     -0.2396000    
 C   0.8113000      0.2546000      0.5243000    
 C   -6.309100     -0.1879000       1.058500    
 C   -6.026800     -0.3958000      -1.331900    
 C   -1.351600     -0.8150000      0.4028000    
 C   -1.183100       1.590200      0.2484000    
 C   3.4200002E-02 -0.9036000      0.5354000    
 C   0.2027000       1.501500      0.3809000    
 C   -7.666600      7.5499997E-02  0.8753000    
 C   -7.384300     -0.1324000      -1.515100    
 C   -8.204200      0.1032000     -0.4114000    
 H    7.974200     -0.2759000      1.6799999E-02
 H    4.122400      -2.178800     -0.1956000    
 H    4.419400       2.097800     -0.4662000    
 H   -3.906200      -1.218800       1.112600    
 H   -3.707400      -1.370400     -0.6580000    
 H    7.035000      -3.101000     -0.9021000    
 H    6.102400      -3.409700      0.5814000    
 H    7.676200      -2.627400      0.6891000    
 H    7.243500       2.655000      0.7799000    
 H    8.103400       2.086500     -0.6707000    
 H    6.647800       3.061500     -0.8465000    
 H   -5.902300     -0.2041000       2.066100    
 H   -5.398500     -0.5750000      -2.200400    
 H   -1.889700      -1.755700      0.4240000    
 H   -1.653100       2.563200      0.1370000    
 H   0.5002000      -1.879200      0.6480000    
 H   0.7997000       2.409800      0.3714000    
 H   -8.304900      0.2597000       1.734500    
 H   -7.802900     -0.1099000      -2.517000    
 H   -9.261000      0.3087000     -0.5541000    


%chk=000145536-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145536

0 1
O -3.457480 -0.114236 0.533806
N 2.880717 0.052750 -0.324125
N 2.184065 -0.320682 0.721730
C 6.359874 -0.572035 1.066762
C 6.478383 0.326821 -1.245937
C 7.107457 -0.145878 -0.069659
C 4.301500 -0.045476 -0.159605
C 4.953996 -0.518387 1.014980
C 5.063020 0.371947 -1.278029
C -4.199105 0.296844 -0.675444
C -5.682258 0.150084 -0.402532
C -2.060038 -0.128113 0.471328
C 7.080795 -1.073813 2.306914
C 7.293533 0.773070 -2.448129
C 0.768596 -0.227674 0.560647
C -6.176580 -0.917829 0.386630
C -6.595684 1.063655 -0.982739
C -1.300256 0.263654 -0.667102
C -1.405608 -0.566217 1.651793
C 0.103019 0.212558 -0.617707
C -0.004592 -0.614908 1.691256
C -7.566363 -1.070055 0.586220
C -7.987177 0.905201 -0.791701
C -8.476575 -0.163299 -0.006227
H 8.204309 -0.185457 -0.029481
H 4.339463 -0.833677 1.864009
H 4.526228 0.730499 -2.163907
H -3.886428 -0.355847 -1.518491
H -3.947418 1.345208 -0.933047
H 7.696427 -1.964983 2.080269
H 6.368014 -1.349887 3.102024
H 7.761774 -0.303289 2.715157
H 7.045208 1.810852 -2.738689
H 8.376586 0.729997 -2.240890
H 7.093098 0.132804 -3.327884
H -5.468090 -1.609012 0.853827
H -6.222483 1.903559 -1.582337
H -1.792998 0.607850 -1.581243
H -2.014635 -0.857511 2.512438
H 0.709793 0.508748 -1.479001
H 0.524575 -0.949714 2.589178
H -7.939737 -1.895349 1.202876
H -8.684466 1.618139 -1.245606
H -9.554561 -0.284614 0.147972


