%chk=000148029.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148029

0 1
 O   -3.786400     -0.1025000      -1.718000    
 N    1.913100      6.5399997E-02   1.505900    
 N    5.187500     -4.0300000E-02  -1.108700    
 N   -3.612000      2.4999999E-03  0.6244000    
 C    3.023600      2.9400000E-02  0.6193000    
 C    3.568900      -1.201500      0.2407000    
 C    3.561200       1.225400      0.1331000    
 C    4.665700      -1.189300     -0.6375000    
 C    4.658400       1.142600     -0.7408000    
 C   0.5296000      5.0600000E-02   1.285400    
 C    3.048500      -2.418800      0.7137000    
 C    3.033200       2.476500      0.4969000    
 C    5.213100      -2.411700      -1.018100    
 C    5.198200       2.329900      -1.228400    
 C    3.613900      -3.627200      0.3178000    
 C    3.591200       3.648700     -4.4999998E-03
 C  -0.3591000      9.4999999E-02   2.365600    
 C   2.2500001E-02 -9.8999999E-03 -1.7800000E-02
 C    4.698500      -3.623200     -0.5499000    
 C    4.675900       3.574800     -0.8689000    
 C   -2.234400      1.8700000E-02  0.8442000    
 C   -1.736400      7.9000004E-02   2.145800    
 C   -1.354900     -2.5699999E-02 -0.2376000    
 C   -4.289700     -5.5100001E-02 -0.6007000    
 C   -5.773100     -2.9100001E-02 -0.5102000    
 C   -6.511000     -0.6234000      -1.512200    
 C   -6.362900      0.5881000      0.5729000    
 C   -7.903100     -0.5993000      -1.427300    
 C   -7.755000      0.6120000      0.6577000    
 C   -8.525000      1.8400000E-02 -0.3425000    
 H    2.191800      0.1135000       2.481600    
 H    2.204300      -2.457800       1.397100    
 H    2.188500       2.570600       1.174400    
 H    6.063500      -2.435100      -1.697300    
 H    6.048500       2.298400      -1.907200    
 H    3.211000      -4.565900      0.6854000    
 H    3.182300       4.613700      0.2788000    
 H   1.4200000E-02  0.1420000       3.385800    
 H   0.6850000     -4.5699999E-02 -0.8788000    
 H    5.147500      -4.560700     -0.8649000    
 H    5.119100       4.483600      -1.265700    
 H   -2.409800      0.1143000       2.998400    
 H   -1.661800     -7.3500000E-02  -1.272800    
 H   -4.161700     -7.4000000E-03   1.478800    
 H   -6.042900      -1.113700      -2.360400    
 H   -5.805500       1.097900       1.351400    
 H   -8.502900      -1.062400      -2.205500    
 H   -8.240200       1.101200       1.497400    
 H   -9.609000      3.8899999E-02 -0.2774000    


%chk=000148029-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148029

0 1
O -3.741923 -0.225952 -1.730914
N 1.978671 0.084938 1.694820
N 5.196558 -0.046722 -1.187381
N -3.607244 -0.006822 0.602903
C 3.031479 0.040105 0.718173
C 3.568184 -1.210666 0.296110
C 3.562250 1.246875 0.177372
C 4.666820 -1.199347 -0.669002
C 4.661149 1.147907 -0.782422
C 0.603169 0.059475 1.388446
C 3.076986 -2.474550 0.777419
C 3.064222 2.548747 0.534358
C 5.226472 -2.453990 -1.099133
C 5.214576 2.358061 -1.331619
C 3.641831 -3.666520 0.334421
C 3.623118 3.695271 -0.021669
C -0.355728 0.096385 2.440536
C 0.133058 -0.003062 0.047710
C 4.727873 -3.656980 -0.610079
C 4.709713 3.600062 -0.960825
C -2.196951 0.010107 0.811738
C -1.730873 0.072415 2.152543
C -1.244368 -0.029062 -0.241492
C -4.307280 -0.090849 -0.598668
C -5.810552 -0.034092 -0.472520
C -6.569634 -0.577958 -1.540689
C -6.490756 0.560077 0.624405
C -7.978665 -0.556076 -1.501919
C -7.902382 0.585515 0.660834
C -8.650567 0.021096 -0.398040
H 2.245945 0.128944 2.678952
H 2.243528 -2.475578 1.486870
H 2.230487 2.613126 1.240580
H 6.048499 -2.413806 -1.820170
H 6.036997 2.252751 -2.045612
H 3.257697 -4.624813 0.700934
H 3.233778 4.682516 0.250259
H -0.021540 0.144190 3.484448
H 0.850609 -0.033782 -0.778319
H 5.157696 -4.607599 -0.944432
H 5.134820 4.516116 -1.385508
H -2.450231 0.102980 2.981832
H -1.595708 -0.085070 -1.273234
H -4.170284 -0.000809 1.455838
H -6.027506 -1.003015 -2.391551
H -5.936089 1.049105 1.435395
H -8.553463 -0.984951 -2.330016
H -8.416942 1.055665 1.506120
H -9.745600 0.041539 -0.368405


