%chk=000047508.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047508

0 1
 O   -5.140000      3.0000000E-03   2.189300    
 N   0.3281000     -2.0000001E-03  -1.448400    
 N    3.784000      2.7999999E-03  0.9235000    
 N   -5.119100     -1.5000000E-03 -0.1682000    
 C    1.500000     -5.0000002E-04 -0.6440000    
 C    2.072900      -1.214400     -0.2512000    
 C    2.070200       1.215000     -0.2523000    
 C    3.230700      -1.165200      0.5435000    
 C    3.228100       1.169100      0.5424000    
 C   -1.035700     -2.4999999E-03  -1.127700    
 C    1.521200      -2.450500     -0.6305000    
 C    1.515700       2.449600     -0.6326000    
 C    3.805800      -2.370400      0.9378000    
 C    3.800500       2.375900      0.9356000    
 C    2.115500      -3.641100     -0.2231000    
 C    2.107300       3.641900     -0.2262000    
 C   -2.000300     -3.0000000E-03  -2.141900    
 C   -1.447800     -2.2000000E-03  0.2100000    
 C    3.260200      -3.600600      0.5626000    
 C    3.252000       3.604500      0.5596000    
 C   -3.761000     -2.0000001E-03 -0.4873000    
 C   -3.358300     -2.9000000E-03  -1.822800    
 C   -2.805700     -1.8000000E-03  0.5292000    
 C   -5.709300     -6.9999998E-04   1.102700    
 C   -7.215200     -5.0000002E-04   1.020000    
 H   0.5353000     -1.4000000E-03  -2.442900    
 H   0.6297000      -2.518400      -1.248300    
 H   0.6241000       2.515000      -1.250600    
 H    4.703300      -2.365100       1.553700    
 H    4.698100       2.373100       1.551600    
 H    1.688200      -4.594500     -0.5183000    
 H    1.677800       4.594100     -0.5221000    
 H   -1.701800     -3.4000000E-03  -3.187500    
 H  -0.7248000     -2.0000001E-03   1.021900    
 H    3.732000      -4.523800      0.8857000    
 H    3.721800       4.529100      0.8820000    
 H   -4.091800     -3.1000001E-03  -2.625100    
 H   -3.040200     -1.6000000E-03   1.584500    
 H   -5.752400     -2.0000001E-03 -0.9653000    
 H   -7.556900      0.9060000      0.5126000    
 H   -7.641800     -2.7200000E-02   2.026400    
 H   -7.556700     -0.8801000      0.4671000    


%chk=000047508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047508

0 1
O -5.282587 -1.019878 2.060411
N 0.251386 0.696885 -1.291160
N 3.936378 -0.033558 0.818347
N -5.226557 -0.444194 -0.216008
C 1.425356 0.431598 -0.554502
C 1.739747 -0.869797 -0.036637
C 2.382680 1.490877 -0.393882
C 3.005743 -1.030983 0.675893
C 3.642381 1.190265 0.276690
C -1.094604 0.367221 -0.977627
C 0.916702 -2.032927 -0.237044
C 2.150489 2.838773 -0.841040
C 3.334686 -2.319514 1.228512
C 4.629932 2.230020 0.402376
C 1.281091 -3.268885 0.291391
C 3.126485 3.823188 -0.694759
C -2.075855 0.473207 -2.000583
C -1.511632 -0.010991 0.326468
C 2.492758 -3.411725 1.049560
C 4.386380 3.512052 -0.080293
C -3.839704 -0.182759 -0.421470
C -3.428363 0.209673 -1.723175
C -2.862421 -0.291367 0.604944
C -5.876313 -0.835968 0.956239
C -7.385129 -1.030924 0.812949
H 0.360788 1.364361 -2.057363
H -0.005411 -1.946989 -0.817070
H 1.178920 3.114919 -1.267439
H 4.279666 -2.395117 1.775006
H 5.568328 1.963105 0.897980
H 0.641387 -4.142197 0.124009
H 2.927064 4.846067 -1.032468
H -1.775928 0.754843 -3.017150
H -0.777184 -0.078630 1.134471
H 2.756810 -4.388140 1.470453
H 5.145723 4.294903 0.023183
H -4.168234 0.300951 -2.529061
H -3.176006 -0.582470 1.608905
H -5.818369 -0.327807 -1.041333
H -7.901700 -0.352720 1.513992
H -7.641789 -2.062403 1.109690
H -7.769395 -0.848268 -0.206004


