%chk=000218459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218459

0 1
O 6.877592 -0.943740 0.257383
N -2.782175 1.030306 -0.725020
N -2.281125 2.147455 -1.345952
N 0.723585 0.291070 -0.334641
N 1.723274 0.945583 -0.733437
C -1.756080 0.183596 -0.271636
C -1.954532 -1.104509 0.389939
C -0.549584 0.829925 -0.626789
C -4.211024 0.868451 -0.583918
C -0.933621 2.048543 -1.298571
C -1.254176 -1.385496 1.574916
C -2.810684 -2.071067 -0.165345
C -4.738013 0.360395 0.615291
C -5.051339 1.238967 -1.647568
C -1.423938 -2.620538 2.205792
C -2.972221 -3.303112 0.471471
C -6.120654 0.204593 0.732858
C -6.431539 1.080574 -1.505728
C -2.282876 -3.578217 1.657730
C -6.967087 0.560891 -0.322626
C 3.024514 0.408964 -0.445457
C 5.646161 -0.411768 -0.016235
C 4.094480 1.238573 -0.830819
C 3.280389 -0.845226 0.157713
C 5.412897 0.834024 -0.617054
C 4.584233 -1.260130 0.374292
C 8.068964 -0.168340 -0.102542
C 9.206728 -1.064803 0.342593
H -0.265859 2.791065 -1.711558
H -0.570226 -0.642781 1.989138
H -3.341998 -1.861435 -1.093333
H -4.081651 0.092319 1.444112
H -4.628762 1.656833 -2.563853
H -0.880813 -2.837563 3.124533
H -3.633956 -4.052820 0.040218
H -6.539912 -0.192921 1.657247
H -7.092522 1.366253 -2.324212
H -2.411686 -4.540238 2.151049
H -8.044332 0.437991 -0.221054
H 3.888169 2.204223 -1.298821
H 2.442078 -1.484177 0.448439
H 6.228059 1.483063 -0.917053
H 4.811485 -2.219494 0.834383
H 8.056594 0.000811 -1.192804
H 8.037555 0.789576 0.444067
H 10.180939 -0.608748 0.133389
H 9.151790 -1.274096 1.420481
H 9.169400 -2.039029 -0.165610


%chk=000218459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218459

0 1
O 6.915928 -0.953404 0.300286
N -2.795763 0.911147 -0.780713
N -2.281977 2.021805 -1.495210
N 0.699933 0.225508 -0.308193
N 1.703806 0.975750 -0.715386
C -1.783574 0.108247 -0.253949
C -1.973548 -1.192522 0.413208
C -0.562909 0.745692 -0.622820
C -4.222028 0.844416 -0.616673
C -0.939683 1.904985 -1.387581
C -1.145040 -1.552255 1.511703
C -2.937915 -2.129288 -0.054703
C -4.794227 0.428727 0.609900
C -5.045876 1.258784 -1.690531
C -1.292527 -2.808230 2.137484
C -3.079223 -3.384187 0.571854
C -6.198582 0.395936 0.743267
C -6.448238 1.228673 -1.541448
C -2.261219 -3.728340 1.673896
C -7.031369 0.791188 -0.329149
C 2.992183 0.438323 -0.429568
C 5.651133 -0.424542 0.029290
C 4.090925 1.259184 -0.792765
C 3.242165 -0.835830 0.167624
C 5.417329 0.842003 -0.566771
C 4.556057 -1.259515 0.392857
C 8.101343 -0.145646 -0.059998
C 9.327667 -0.965191 0.330619
H -0.284081 2.637242 -1.852084
H -0.390791 -0.843320 1.864452
H -3.564224 -1.882457 -0.918000
H -4.153758 0.144837 1.449296
H -4.578466 1.608988 -2.614497
H -0.651265 -3.068159 2.986881
H -3.822633 -4.095631 0.196043
H -6.640117 0.073254 1.692259
H -7.085192 1.548405 -2.373223
H -2.374617 -4.703033 2.161231
H -8.120715 0.767504 -0.218258
H 3.878154 2.229904 -1.252604
H 2.388857 -1.467099 0.433397
H 6.245360 1.495705 -0.853643
H 4.774806 -2.232499 0.843605
H 8.084505 0.062840 -1.149154
H 8.067016 0.818145 0.487711
H 10.250072 -0.409264 0.083001
H 9.326578 -1.176789 1.413274
H 9.342240 -1.926192 -0.210817


