%chk=000016939.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016939

1 1
 O  -0.1805000      -1.463600     -0.1504000    
 N   -4.769400     -9.2500001E-02  1.0700000E-02
 N   0.6843000       1.249700      0.1292000    
 N    4.352900      -2.800200     -0.3100000    
 C   -3.398200      0.2358000      3.9900001E-02
 C    1.558400      0.2956000      2.5800001E-02
 C    3.008800      0.6103000      5.3100001E-02
 C   -1.083200     -0.4354000     -3.9400000E-02
 C    1.166600      -1.131700     -0.1215000    
 C  -0.6722000      0.8935000      9.7599998E-02
 C    3.971400     -0.4031000     -5.6299999E-02
 C   -2.438300     -0.7684000     -6.9100000E-02
 C   -5.775200      0.9451000      0.1232000    
 C   -5.191100      -1.470500     -0.1460000    
 C   -3.002300       1.565200      0.1774000    
 C    3.535500      -1.811700     -0.2019000    
 C   -1.645200       1.892600      0.2060000    
 C    2.084300      -2.095400     -0.2258000    
 C    3.413200       1.947900      0.1910000    
 C    5.332700     -5.7900000E-02 -2.5200000E-02
 C   -6.136400       1.509500      -1.240300    
 C   -5.308300      -2.165300       1.200000    
 C    4.767300       2.276100      0.2200000    
 C    5.725200       1.274700      0.1122000    
 H   -2.682600      -1.820800     -0.1612000    
 H   -5.517000       1.734100      0.8371000    
 H   -6.689600      0.5069000      0.5459000    
 H   -4.576300      -2.041700     -0.8493000    
 H   -6.188200      -1.486100     -0.6068000    
 H   -3.695400       2.395600      0.2495000    
 H   -1.350500       2.934100      0.3098000    
 H    1.770400      -3.130400     -0.3326000    
 H    2.690000       2.754600      0.2778000    
 H    6.118500     -0.8028000     -0.1058000    
 H   -5.278300       1.992600      -1.717800    
 H   -6.491300      0.7220000      -1.913600    
 H   -6.932400       2.254600      -1.142600    
 H   -4.343500      -2.217100       1.713900    
 H   -6.007000      -1.637400       1.857800    
 H   -5.675900      -3.187700       1.067300    
 H    5.073100       3.312600      0.3269000    
 H    6.781100       1.528800      0.1347000    
 H    4.023000      -3.762100     -0.4099000    
 H    5.366700      -2.692000     -0.3034000    


%chk=000016939-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016939

1 1
O -0.126122 -1.432091 -0.100965
N -4.781379 -0.088674 -0.000024
N 0.674192 1.305510 0.089850
N 4.441288 -2.853408 -0.200758
C -3.445578 0.232953 0.025669
C 1.602702 0.309983 0.017237
C 3.029079 0.623080 0.034437
C -1.095384 -0.412961 -0.030840
C 1.227850 -1.081225 -0.076747
C -0.647808 0.958779 0.069894
C 4.003703 -0.432629 -0.038599
C -2.430924 -0.784871 -0.051072
C -5.851756 0.934015 0.168578
C -5.251570 -1.486901 -0.198902
C -3.014266 1.618971 0.127954
C 3.543695 -1.821747 -0.130092
C -1.671435 1.960236 0.148940
C 2.154446 -2.119133 -0.147605
C 3.461544 1.975468 0.123622
C 5.388398 -0.089587 -0.020177
C -6.252558 1.613733 -1.158953
C -5.342824 -2.286675 1.119512
C 4.828308 2.286776 0.140062
C 5.797471 1.248590 0.067636
H -2.675293 -1.846712 -0.108342
H -5.535273 1.680323 0.916932
H -6.725533 0.415604 0.600797
H -4.593418 -1.994374 -0.925484
H -6.248484 -1.430362 -0.670111
H -3.758131 2.416319 0.173794
H -1.352837 3.004141 0.219250
H 1.798695 -3.151099 -0.216939
H 2.699981 2.757737 0.178265
H 6.165681 -0.859753 -0.074288
H -5.408088 2.164874 -1.607611
H -6.604783 0.871274 -1.896297
H -7.074300 2.328921 -0.979028
H -4.359460 -2.377486 1.611952
H -6.036446 -1.804478 1.830416
H -5.721343 -3.303254 0.913569
H 5.152389 3.329631 0.208745
H 6.863725 1.493800 0.080534
H 4.120702 -3.818567 -0.265349
H 5.446248 -2.696630 -0.191563


