%chk=000049605.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049605

0 1
 O   -2.382400     -0.8836000     -6.2500000E-02
 N   0.2228000     -0.2946000      0.8595000    
 N    2.210300       1.005000      0.6374000    
 N    2.338600      -1.309800      0.9120000    
 C   -3.735600     -0.7314000     -0.1403000    
 C   -4.518200      -1.733300     -0.7144000    
 C   -4.337100      0.4258000      0.3546000    
 C   -1.868500      -1.508300       1.111300    
 C  -0.3604000      -1.632100      0.9958000    
 C   -5.902200      -1.578000     -0.7933000    
 C   -5.721100      0.5811000      0.2757000    
 C   -6.503500     -0.4207000     -0.2983000    
 C   -3.893200      -2.979700      -1.248700    
 C   -3.516600       1.509300      0.9733000    
 C    1.516100     -0.1972000      0.7706000    
 C    1.753900       2.267700      0.1933000    
 C    3.562100      -1.599800      0.2709000    
 C    2.574000       3.386400      0.3217000    
 C    4.491900      -2.434900      0.8895000    
 C   0.4858000       2.387800     -0.3706000    
 C    3.839900      -1.050600     -0.9803000    
 C    2.123500       4.631900     -0.1157000    
 C    5.701200      -2.720900      0.2561000    
 C   3.5399999E-02   3.633300     -0.8081000    
 C    5.049300      -1.336800      -1.613600    
 C   0.8542000       4.755400     -0.6807000    
 C    5.979900      -2.172000     -0.9954000    
 H   -2.127100     -0.9086000       1.991700    
 H   -2.308400      -2.504800       1.230700    
 H  -0.1146000      -2.235500      0.1139000    
 H   3.1000001E-03  -2.132600       1.900100    
 H   -6.525300      -2.350700      -1.235500    
 H   -6.204300       1.475800      0.6591000    
 H   -7.581200     -0.3004000     -0.3587000    
 H   -4.554300      -3.482800      -1.963100    
 H   -3.681300      -3.677800     -0.4331000    
 H   -2.963500      -2.759300      -1.783800    
 H   -3.247800       1.244200       2.000200    
 H   -4.063200       2.458500       1.000600    
 H   -2.604100       1.690200      0.3971000    
 H    3.198800      0.9940000      0.8741000    
 H    1.990300      -2.105900       1.437300    
 H    3.565000       3.303700      0.7603000    
 H    4.286300      -2.867700       1.865200    
 H  -0.1759000       1.546100     -0.5324000    
 H    3.125200     -0.4152000      -1.495900    
 H    2.761100       5.505500     -1.7000001E-02
 H    6.425900      -3.371300      0.7373000    
 H  -0.9494000       3.728500      -1.256200    
 H    5.264600     -0.9136000      -2.590500    
 H   0.5042000       5.724700      -1.023300    
 H    6.921000      -2.395800      -1.489200    


%chk=000049605-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049605

0 1
O -2.152104 -1.149886 0.121025
N 0.265875 -0.078218 1.607889
N 2.206102 1.052076 0.816392
N 2.289074 -1.290074 1.039625
C -3.506152 -0.981562 -0.294724
C -4.239675 -2.144642 -0.658633
C -4.049546 0.326802 -0.406032
C -1.955750 -1.156904 1.587592
C -0.458639 -1.336295 1.852921
C -5.564438 -1.974993 -1.129417
C -5.379808 0.451380 -0.881558
C -6.136313 -0.686808 -1.233921
C -3.602832 -3.518535 -0.560653
C -3.223896 1.549317 -0.050527
C 1.498279 -0.105902 1.162596
C 1.744393 2.377783 0.619553
C 3.293900 -1.584959 0.079345
C 2.688192 3.323136 0.124717
C 4.276532 -2.563675 0.397265
C 0.414418 2.797200 0.892732
C 3.322706 -0.966142 -1.202485
C 2.307418 4.660630 -0.099727
C 5.265189 -2.915121 -0.544746
C 0.047636 4.139089 0.651949
C 4.330157 -1.313455 -2.127918
C 0.980275 5.079730 0.158372
C 5.306681 -2.286258 -1.811335
H -2.306851 -0.203258 2.027805
H -2.531697 -1.996925 2.030349
H -0.104697 -2.186963 1.226663
H -0.348080 -1.630913 2.920794
H -6.145632 -2.858777 -1.419025
H -5.816091 1.452662 -0.983037
H -7.161745 -0.571185 -1.602534
H -4.250552 -4.286501 -1.017203
H -3.422746 -3.811296 0.491797
H -2.620887 -3.534415 -1.065289
H -3.372270 1.846176 1.007015
H -3.511159 2.412845 -0.675594
H -2.148539 1.350769 -0.189613
H 3.205923 0.911821 0.656593
H 2.094794 -2.017401 1.728097
H 3.718012 3.004970 -0.086918
H 4.265747 -3.041237 1.385209
H -0.288501 2.066310 1.295882
H 2.547009 -0.246557 -1.481974
H 3.046754 5.374559 -0.480138
H 6.010820 -3.674444 -0.283574
H -0.982092 4.451853 0.862419
H 4.337023 -0.831405 -3.112039
H 0.683367 6.118986 -0.018419
H 6.079616 -2.554192 -2.538860


