%chk=000018888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018888

0 1
 O   -4.064700      -3.712300      0.5202000    
 O   -2.643600      -2.737800       1.880300    
 N  -0.2419000       1.543100       1.105400    
 N    2.516800      0.6841000       1.207400    
 N   -3.590300       2.057800      -1.933700    
 N   -3.393600      -2.713700      0.8751000    
 C   0.5192000       1.276900     -0.1214000    
 C   0.6558000       1.987800       2.178500    
 C    1.619700      0.2411000      0.1331000    
 C    1.755500      0.9513000       2.433900    
 C   -1.289700       2.532300      0.8619000    
 C    3.563300     -0.3066000       1.451500    
 C   -2.266200       2.068600     -0.1863000    
 C   -2.839600      0.7869000     -0.2608000    
 C    4.405600     -0.5462000      0.2267000    
 C   -2.728700       2.836300      -1.208300    
 C   -3.677500      0.8013000      -1.377800    
 C   -2.742500     -0.3957000      0.4992000    
 C   -4.426300     -0.3124000      -1.774600    
 C    4.035100      -1.534400     -0.6747000    
 C    5.540200      0.2249000      1.6000001E-02
 C   -3.485700      -1.517500      0.1142000    
 C   -4.314000      -1.474300      -1.005500    
 C    4.815200      -1.756300      -1.809600    
 C    6.320200      2.9000000E-03  -1.119000    
 C    5.957600     -0.9877000      -2.031700    
 H   0.9702000       2.202300     -0.5066000    
 H  -0.1127000      0.8726000     -0.9192000    
 H   8.6599998E-02   2.121000       3.106500    
 H    1.111900       2.956500       1.932800    
 H    1.164500     -0.7308000      0.3672000    
 H    2.145900      0.1538000     -0.8216000    
 H    2.425300       1.344000       3.208500    
 H    1.307500      2.8000001E-02   2.825900    
 H  -0.8573000       3.498400      0.5679000    
 H   -1.858700       2.703400       1.785200    
 H    3.140200      -1.259900       1.798600    
 H    4.219900      3.7099998E-02   2.262400    
 H   -2.534900       3.859600      -1.497800    
 H   -4.090400       2.360900      -2.758000    
 H   -2.103200     -0.4146000       1.376400    
 H   -5.071300     -0.2793000      -2.646300    
 H    3.156600      -2.151500     -0.5085000    
 H    5.830700       1.000300      0.7192000    
 H   -4.898100      -2.337200      -1.318300    
 H    4.534800      -2.529800      -2.518600    
 H    7.209600      0.6016000      -1.292500    
 H    6.565300      -1.160900      -2.915100    


%chk=000018888-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018888

0 1
O -4.450075 -3.560044 0.660713
O -2.729612 -2.684354 1.873364
N -0.178187 1.545385 0.944967
N 2.462400 0.365247 1.082091
N -3.896668 2.276266 -1.826904
N -3.636408 -2.596106 0.954513
C 0.610109 1.289484 -0.285886
C 0.722040 1.812664 2.092796
C 1.561846 0.104111 -0.069082
C 1.671989 0.623577 2.309805
C -1.209871 2.597848 0.775046
C 3.472677 -0.701887 1.271240
C -2.296244 2.192618 -0.190733
C -3.004267 0.921247 -0.224673
C 4.530047 -0.728483 0.170491
C -2.865717 2.985685 -1.182667
C -4.003027 1.007006 -1.263931
C -2.874515 -0.275922 0.514548
C -4.874871 -0.065510 -1.568341
C 5.057719 -1.958998 -0.291622
C 5.035596 0.480136 -0.372412
C -3.751497 -1.332165 0.198735
C -4.743989 -1.246266 -0.823093
C 6.078749 -1.985298 -1.269964
C 6.051775 0.457368 -1.352698
C 6.580013 -0.776000 -1.803654
H 1.208253 2.190027 -0.577513
H -0.085758 1.057985 -1.111995
H 0.107375 1.962076 3.000754
H 1.333618 2.736367 1.929613
H 0.953873 -0.821018 0.096352
H 2.177344 -0.047858 -0.973533
H 2.367157 0.856067 3.138554
H 1.063882 -0.268406 2.605586
H -0.769891 3.575010 0.444943
H -1.652889 2.774054 1.776590
H 3.002687 -1.715025 1.354400
H 3.970268 -0.506990 2.243354
H -2.618779 4.003829 -1.478185
H -4.466005 2.633295 -2.591380
H -2.110715 -0.385325 1.287120
H -5.628916 0.012690 -2.358343
H 4.666680 -2.901174 0.113399
H 4.608289 1.426023 -0.020981
H -5.383913 -2.112601 -1.006448
H 6.476743 -2.945447 -1.617971
H 6.433690 1.398736 -1.765004
H 7.369291 -0.794024 -2.563866


