%chk=000099760.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099760

0 1
 O   0.1575000       1.722400     -0.2446000    
 N   -1.300500     -6.5399997E-02 -0.3938000    
 N   0.9445000     -0.4883000     -0.1773000    
 N    2.828700      0.9286000      1.1300000E-02
 C   -2.512000      0.7157000     -0.5083000    
 C   -3.549800     -1.9000000E-03  -1.377700    
 C   -3.082600       1.053300      0.8733000    
 C   -4.157700      -1.218200     -0.6791000    
 C   -3.691100     -0.1648000       1.568400    
 C   -4.728600     -0.8551000      0.6883000    
 C  -3.1099999E-02  0.5085000     -0.2679000    
 C    2.342800     -0.3244000     -4.0899999E-02
 C    3.102100      -1.473500      2.7200000E-02
 C    4.477800      -1.323400      0.1606000    
 C    4.170100       1.035000      0.1410000    
 C    5.030100     -4.8500001E-02  0.2193000    
 H   -2.245400       1.657000      -1.004800    
 H   -3.099600     -0.3158000      -2.327200    
 H   -4.355400      0.7013000      -1.624800    
 H   -3.861700       1.817900      0.7588000    
 H   -2.306600       1.486700       1.515500    
 H   -3.401600      -2.003700     -0.5645000    
 H   -4.952500      -1.638400      -1.306100    
 H   -4.157500      0.1461000       2.510100    
 H   -2.898600     -0.8772000       1.827600    
 H   -5.593200     -0.1928000      0.5574000    
 H   -5.093300      -1.759700       1.187800    
 H   -1.376200      -1.075500     -0.3288000    
 H   0.6139000      -1.449400     -0.2146000    
 H    2.664200      -2.464800     -1.9500000E-02
 H    5.118700      -2.198000      0.2185000    
 H    4.550700       2.050300      0.1820000    
 H    6.099800      9.2299998E-02  0.3230000    


%chk=000099760-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099760

0 1
O 0.119001 1.566524 -0.741794
N -1.335712 -0.262394 -0.673099
N 0.967509 -0.660441 -0.664257
N 2.454280 0.443954 0.819832
C -2.561997 0.557513 -0.811940
C -3.727532 -0.324579 -1.323508
C -2.943092 1.259684 0.521917
C -4.231463 -1.327309 -0.253321
C -3.432865 0.254569 1.590059
C -4.609382 -0.602660 1.061903
C -0.075066 0.324601 -0.673203
C 2.279382 -0.456698 -0.189779
C 3.351487 -1.221469 -0.734451
C 4.643438 -1.041411 -0.203839
C 3.717917 0.622145 1.295965
C 4.842996 -0.094836 0.830413
H -2.324610 1.337677 -1.558596
H -3.421865 -0.853739 -2.246724
H -4.564253 0.348189 -1.596337
H -3.749887 1.989859 0.305954
H -2.070670 1.833601 0.881523
H -3.452289 -2.090767 -0.038032
H -5.100900 -1.886062 -0.649766
H -3.736609 0.797966 2.504999
H -2.593758 -0.408968 1.884746
H -5.481827 0.056413 0.871634
H -4.924733 -1.338757 1.826555
H -1.433465 -1.230350 -0.362505
H 0.792822 -1.525538 -1.178539
H 3.174775 -1.920467 -1.559808
H 5.484683 -1.618496 -0.602551
H 3.817105 1.366124 2.095144
H 5.832477 0.082423 1.261605


