%chk=000027018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027018

0 1
 O   -1.155600      0.4347000     -3.6499999E-02
 N    6.029700     -0.3900000     -0.4026000    
 N    2.502800      0.8091000     -0.1610000    
 N   -3.525800      0.5493000      6.7900002E-02
 N   -4.546200       1.419300      0.1591000    
 C    4.935200      0.5746000     -0.3012000    
 C    3.593800     -0.1521000     -0.2800000    
 C    7.237000      0.2582000     -0.9132000    
 C    6.291000      -1.005000      0.8983000    
 C    1.215100      0.1308000     -0.1286000    
 C   7.9499997E-02   1.138500     -4.8400000E-02
 C    7.719200       1.344200      3.3599999E-02
 C    7.384500      -2.055000      0.7995000    
 C   -2.297000       1.141000      5.0299998E-02
 C   -2.529700       2.492100      0.1353000    
 C   -3.785100     -0.8198000      1.1000000E-03
 C   -3.931500       2.604400      0.2000000    
 C   -2.862500      -1.730200      0.5166000    
 C   -4.968400      -1.278400     -0.5781000    
 C   -4.728400       3.838400      0.3025000    
 C   -3.122900      -3.099000      0.4529000    
 C   -5.228700      -2.647400     -0.6417000    
 C   -4.306000      -3.557600     -0.1262000    
 H    4.934000       1.240500      -1.175200    
 H    5.023700       1.212200      0.5883000    
 H    3.480800     -0.7395000      -1.200200    
 H    3.537500     -0.8440000      0.5663000    
 H    7.022400      0.7054000      -1.892600    
 H    8.037100     -0.4617000      -1.115300    
 H    5.397300      -1.543000       1.233400    
 H    6.516900     -0.2884000       1.695900    
 H    2.531100       1.460000     -0.9453000    
 H    1.076900     -0.4911000      -1.022300    
 H    1.153500     -0.5440000      0.7344000    
 H   0.1088000       1.809500     -0.9162000    
 H   0.1735000       1.735100      0.8678000    
 H    6.976700       2.124300      0.2225000    
 H    8.082700      0.9574000      0.9895000    
 H    8.575900       1.850700     -0.4279000    
 H    7.213000      -2.741600     -3.6899999E-02
 H    8.381600      -1.616100      0.6985000    
 H    7.398500      -2.656800       1.715300    
 H   -1.797200       3.286400      0.1493000    
 H   -1.957200      -1.430700       1.034000    
 H   -5.702800     -0.5954000     -0.9977000    
 H   -5.405400       3.934000     -0.5527000    
 H   -5.328700       3.836500       1.218200    
 H   -4.087900       4.726100      0.3236000    
 H   -2.411600      -3.807800      0.8669000    
 H   -6.149100      -3.005000      -1.094000    
 H   -4.510100      -4.623200     -0.1731000    


%chk=000027018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027018

0 1
O -1.159146 0.202645 -0.154992
N 6.220619 -0.287306 -0.077475
N 2.534549 0.559630 -0.471028
N -3.553067 0.447200 0.042258
N -4.521400 1.457975 0.257287
C 5.016074 0.544577 -0.312185
C 3.724798 -0.304302 -0.295072
C 7.404879 0.109983 -0.878389
C 6.480951 -0.530001 1.364076
C 1.231120 -0.125915 -0.364363
C 0.135155 0.924936 -0.156281
C 8.057469 1.474688 -0.519499
C 7.460318 -1.690395 1.621261
C -2.272372 0.999620 0.040555
C -2.398014 2.379669 0.255091
C -3.998973 -0.903041 -0.135419
C -3.807764 2.609355 0.382923
C -3.086755 -1.974182 -0.319103
C -5.395814 -1.155479 -0.121868
C -4.519215 3.910766 0.629143
C -3.581468 -3.285731 -0.489424
C -5.870256 -2.470990 -0.293018
C -4.969739 -3.546524 -0.478425
H 5.111195 1.023375 -1.307890
H 4.903666 1.370378 0.429544
H 3.819663 -1.102119 -1.068770
H 3.629551 -0.815073 0.682239
H 7.093125 0.125623 -1.940680
H 8.164175 -0.689522 -0.794662
H 5.511473 -0.780716 1.834248
H 6.848449 0.390227 1.885610
H 2.600474 1.113999 -1.336729
H 0.970185 -0.757794 -1.246235
H 1.259905 -0.794455 0.515380
H 0.126990 1.670569 -0.977933
H 0.273137 1.448494 0.807968
H 7.331674 2.303642 -0.613002
H 8.451095 1.480453 0.513261
H 8.902114 1.684516 -1.202099
H 7.117548 -2.600866 1.098580
H 8.483578 -1.457818 1.275608
H 7.518290 -1.905893 2.704090
H -1.601853 3.116889 0.316242
H -2.012815 -1.785074 -0.328445
H -6.077536 -0.315079 0.023362
H -5.607550 3.740159 0.670555
H -4.201413 4.367451 1.584601
H -4.310645 4.641529 -0.173886
H -2.870258 -4.107634 -0.630604
H -6.950441 -2.655114 -0.281265
H -5.343825 -4.567427 -0.611041


