%chk=000230608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230608

0 1
O -1.478144 1.920244 1.629698
N -4.125315 1.037395 0.670548
N 2.825521 1.052782 -0.845113
N 1.909291 -1.122586 -0.528381
C -2.816227 0.835239 -0.025071
C -2.443198 2.004739 -0.958681
C -1.743588 0.613591 1.076778
C -3.569667 2.276112 -1.962527
C -4.916171 2.480835 -1.254742
C -5.218278 1.303917 -0.309366
C -0.476591 0.004067 0.507877
C 3.076365 2.325666 -0.103174
C 4.109554 0.401581 -1.253016
C 3.973950 2.115579 1.128341
C 5.038124 0.145957 -0.054798
C 5.293344 1.436048 0.735473
C 1.791514 0.213482 -0.356248
C 0.587506 0.803661 0.183992
C -0.393465 -1.415615 0.309439
C 0.827314 -1.930450 -0.218747
C -1.449219 -2.330053 0.605082
C 0.969707 -3.342851 -0.436340
C -1.291997 -3.676397 0.387750
C -0.068177 -4.186299 -0.138357
H -2.898840 -0.108508 -0.628182
H -1.500118 1.777844 -1.489887
H -2.235464 2.910203 -0.352934
H -2.153650 -0.021689 1.900404
H -3.646464 1.433732 -2.677411
H -3.322838 3.167969 -2.568640
H -4.900314 3.429273 -0.685232
H -5.726031 2.585926 -1.998960
H -4.039959 1.838764 1.312974
H -6.151386 1.491508 0.262726
H -5.389377 0.375421 -0.896971
H 2.110538 2.793749 0.188472
H 3.560768 3.026103 -0.820963
H 4.592863 1.079050 -1.990267
H 3.889651 -0.552594 -1.785050
H 3.443183 1.496709 1.877997
H 4.174213 3.086555 1.616940
H 5.992681 -0.285918 -0.405932
H 4.581227 -0.621155 0.603666
H 5.909275 2.130905 0.132797
H 5.885122 1.211057 1.642633
H 0.524695 1.887326 0.307356
H -0.904421 1.838054 2.417632
H -2.388268 -1.944167 1.005695
H 1.914500 -3.706713 -0.840713
H -2.095835 -4.374759 0.611388
H 0.023495 -5.260388 -0.298952


%chk=000230608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230608

0 1
O -1.630424 1.707255 1.846976
N -4.174196 1.185818 0.682304
N 2.924131 0.776583 -0.259319
N 1.845734 -1.305758 -0.390872
C -2.904482 0.802486 0.007134
C -2.388076 1.878672 -0.986766
C -1.882697 0.443581 1.116494
C -3.501776 2.251138 -1.997818
C -4.800039 2.681531 -1.272735
C -5.241087 1.580421 -0.271137
C -0.594024 -0.185111 0.593692
C 3.037118 2.222765 0.002855
C 4.150479 0.170765 -0.825137
C 4.226032 2.525539 0.948991
C 5.365202 0.420076 0.097366
C 5.539151 1.929271 0.389839
C 1.771396 0.013502 -0.073797
C 0.545257 0.596546 0.433302
C -0.541965 -1.592688 0.260301
C 0.725667 -2.098350 -0.229492
C -1.646783 -2.493181 0.392217
C 0.832888 -3.487750 -0.563988
C -1.513447 -3.846125 0.058398
C -0.263324 -4.343822 -0.423324
H -3.103334 -0.126414 -0.567032
H -1.497059 1.501297 -1.523824
H -2.077274 2.773840 -0.413849
H -2.397251 -0.262635 1.800482
H -3.720873 1.372574 -2.640879
H -3.148556 3.056252 -2.670337
H -4.621921 3.627746 -0.721234
H -5.608472 2.875276 -2.005683
H -3.976447 1.934547 1.364411
H -6.123308 1.906285 0.310696
H -5.541593 0.675508 -0.838328
H 2.104672 2.615123 0.433443
H 3.200869 2.752705 -0.962144
H 4.345868 0.623885 -1.822626
H 3.952226 -0.902406 -0.963605
H 4.012849 2.090092 1.944766
H 4.317786 3.621747 1.075980
H 6.274839 0.010163 -0.382363
H 5.214280 -0.130912 1.046024
H 5.807098 2.455769 -0.550215
H 6.371544 2.096226 1.099195
H 0.471838 1.654811 0.691383
H -1.133909 1.497438 2.677401
H -2.611408 -2.125778 0.760166
H 1.800165 -3.845554 -0.930449
H -2.365801 -4.525504 0.166838
H -0.166164 -5.404340 -0.682696


