%chk=000215667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215667

0 1
O 0.898535 1.423745 2.261570
N -2.482730 -1.430166 -0.307781
N 1.486406 1.657775 0.065861
C 0.832451 -1.769837 1.493042
C 1.679935 -2.619955 0.534769
C 1.121744 -4.033656 0.331915
C -0.326106 -1.118730 0.797604
C -0.229032 -4.059799 -0.392528
C -1.372604 -3.443664 0.425480
C -1.413638 -1.942757 0.292618
C -0.412039 0.243079 0.615670
C -1.562758 0.831032 -0.008194
C -2.584074 -0.049935 -0.460041
C 0.695773 1.143064 1.092232
C -1.742747 2.236380 -0.185547
C -3.756137 0.475476 -1.093489
C 2.684711 2.480491 0.358881
C 3.985702 1.756537 -0.016734
C -2.876382 2.719567 -0.793005
C -3.891049 1.831495 -1.254358
C 4.232435 1.723163 -1.530481
C 5.557820 1.045025 -1.869050
H 1.477165 -1.013837 1.992059
H 0.452915 -2.395610 2.330393
H 1.773427 -2.106245 -0.441801
H 2.710643 -2.692689 0.935740
H 1.853589 -4.630370 -0.249249
H 1.032732 -4.545488 1.310398
H -0.489399 -5.109953 -0.634404
H -0.147286 -3.542238 -1.369168
H -1.284585 -3.719181 1.496435
H -2.341770 -3.875985 0.087131
H -0.974824 2.919816 0.178918
H 1.356967 1.364363 -0.896420
H 2.594234 3.444455 -0.189558
H 2.691098 2.729827 1.449695
H -4.519510 -0.227267 -1.430939
H 3.976657 0.725845 0.389941
H 4.833440 2.261624 0.488624
H -3.020244 3.791115 -0.927026
H -4.776157 2.250351 -1.732141
H 4.227201 2.754319 -1.936281
H 3.404276 1.193113 -2.039437
H 5.586710 0.009454 -1.511198
H 5.725878 1.021901 -2.951966
H 6.408229 1.569847 -1.418278


%chk=000215667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215667

0 1
O 0.970964 1.446530 2.256270
N -2.520204 -1.416206 -0.254337
N 1.467882 1.770014 0.000606
C 0.950679 -1.738560 1.338431
C 1.754754 -2.624564 0.339671
C 1.179854 -4.045679 0.132542
C -0.289687 -1.093188 0.742244
C -0.248109 -4.105483 -0.458450
C -1.341435 -3.432619 0.421647
C -1.396691 -1.919552 0.299329
C -0.393646 0.298433 0.571465
C -1.586901 0.871320 -0.001928
C -2.634209 -0.041138 -0.406116
C 0.727040 1.214308 1.031387
C -1.795587 2.280097 -0.170935
C -3.840059 0.476203 -0.976078
C 2.622748 2.656157 0.236655
C 3.984650 1.948954 0.039666
C -2.985272 2.759795 -0.725509
C -4.013448 1.853243 -1.136048
C 4.238275 1.456607 -1.403554
C 5.621965 0.791211 -1.567704
H 1.610690 -0.952658 1.742273
H 0.659701 -2.364907 2.206402
H 1.832727 -2.101485 -0.635097
H 2.788245 -2.723885 0.726851
H 1.864918 -4.616888 -0.525945
H 1.178646 -4.569675 1.111686
H -0.523714 -5.170023 -0.591717
H -0.262680 -3.649046 -1.468049
H -1.174446 -3.724869 1.479372
H -2.336935 -3.805773 0.127404
H -1.020484 2.982207 0.155128
H 1.218961 1.521608 -0.958892
H 2.546533 3.529127 -0.441076
H 2.531599 3.014812 1.276646
H -4.609326 -0.244601 -1.269623
H 4.049750 1.096758 0.744291
H 4.784366 2.661797 0.326947
H -3.138095 3.838492 -0.841737
H -4.940138 2.245364 -1.569283
H 4.153246 2.313357 -2.103794
H 3.451046 0.730086 -1.692368
H 5.720291 -0.085009 -0.899741
H 5.785268 0.446393 -2.604993
H 6.433868 1.498433 -1.314041


