%chk=000176019.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176019

1 1
 O    4.346900     -0.2209000     -1.5000000E-03
 N  -0.3411000      -2.875400      6.9999998E-04
 N    2.398100      0.9558000      1.2000001E-03
 N   -4.389900       2.026900     -7.9999998E-04
 C  -0.3776000     -0.6233000      1.3000000E-03
 C   -1.177400      -1.770600      7.9999998E-04
 C   0.9359000      -1.109800      1.1000000E-03
 C  -0.9995000      0.6402000      1.3000000E-03
 C   0.9788000      -2.486900      3.0000001E-04
 C   -2.576700      -1.710500      3.9999999E-04
 C   -2.404200      0.7250000      6.9999998E-04
 C   -3.191500     -0.4463000      9.9999997E-05
 C    2.154300     -0.3803000      7.9999998E-04
 C    3.315000      -1.121400     -6.9999998E-04
 C    2.173700      -3.216500     -7.9999998E-04
 C  -0.2009000       1.910300      1.6000000E-03
 C   -3.052600       1.961000      3.0000001E-04
 C   -3.381100      -2.973600     -5.0000002E-04
 C    3.389800      -2.510500     -1.7000000E-03
 C   -4.586400     -0.3262000     -1.1000000E-03
 C    3.714900      0.9923000     -9.9999997E-05
 C    4.594500       2.171800     -6.9999998E-04
 C   -5.163000      0.9358000     -1.6000000E-03
 C    4.436500       3.056200       1.261500    
 C    4.433900       3.057100      -1.262100    
 C   -5.030500       3.339600     -3.0000001E-04
 H  -0.6484000      -3.837600      1.9999999E-04
 H    2.168400      -4.302000     -1.5000000E-03
 H   0.4186000       1.944100      0.9035000    
 H   0.4170000       1.945800     -0.9012000    
 H  -0.7351000       2.856500      3.5000001E-03
 H   -2.589200       2.933000      7.9999998E-04
 H   -4.011300      -3.024100     -0.8950000    
 H   -2.764300      -3.876100      3.9999999E-04
 H   -4.013600      -3.024000      0.8924000    
 H    4.340800      -3.030700     -3.0000000E-03
 H   -5.249000      -1.186000     -1.6000000E-03
 H    5.636000       1.821400     -2.0000001E-03
 H   -6.237400       1.074500     -2.0999999E-03
 H    4.607700       2.465900       2.168400    
 H    5.154800       3.882500       1.250900    
 H    3.426700       3.477200       1.321900    
 H    3.424000       3.478000      -1.320000    
 H    5.152200       3.883400      -1.252500    
 H    4.603200       2.467400      -2.169700    
 H   -4.703300       3.877100     -0.8950000    
 H   -6.118900       3.242800     -1.1100000E-02
 H   -4.719400       3.867900      0.9055000    


%chk=000176019-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176019

1 1
O 4.512258 -0.279196 -0.000562
N -0.378705 -2.808435 -0.000524
N 2.635519 1.063016 -0.000113
N -4.641465 1.996889 -0.000328
C -0.458696 -0.504284 -0.000202
C -1.252229 -1.735586 -0.000303
C 0.946976 -0.919664 -0.000341
C -1.093894 0.751189 -0.000006
C 0.958428 -2.358047 -0.000572
C -2.660762 -1.774992 -0.000176
C -2.543744 0.743994 0.000010
C -3.311865 -0.513714 -0.000064
C 2.222239 -0.292948 -0.000353
C 3.382021 -1.124260 -0.000621
C 2.120864 -3.161656 -0.000819
C -0.278981 2.024820 -0.000058
C -3.276920 1.951866 -0.000107
C -3.435405 -3.079215 -0.000232
C 3.382040 -2.526573 -0.000852
C -4.745689 -0.406257 -0.000181
C 3.963289 1.040608 -0.000231
C 4.932434 2.185435 -0.000102
C -5.386906 0.816889 -0.000302
C 4.756431 3.044132 1.282749
C 4.756346 3.044474 -1.282716
C -5.330384 3.319559 0.001037
H -0.650782 -3.789522 -0.000688
H 2.053797 -4.253370 -0.000984
H 0.396617 2.056823 0.871142
H 0.393211 2.058883 -0.873866
H -0.879063 2.946065 0.002201
H -2.780152 2.922494 -0.000063
H -4.081983 -3.168996 -0.892405
H -2.776856 -3.962735 0.000637
H -4.083262 -3.168291 0.891073
H 4.313016 -3.097907 -0.001032
H -5.363336 -1.306477 -0.000344
H 5.946640 1.745499 -0.000197
H -6.472012 0.923894 -0.000389
H 4.909495 2.444575 2.197066
H 5.493872 3.865593 1.283534
H 3.744219 3.483671 1.318166
H 3.744132 3.484023 -1.317942
H 5.493788 3.865934 -1.283334
H 4.909345 2.445159 -2.197202
H -5.043828 3.895250 -0.893765
H -6.418449 3.164068 -0.011257
H -5.062206 3.884122 0.908618


