%chk=000227529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227529

0 1
N 0.872956 1.477872 -0.120315
N -2.680038 -1.672549 0.111300
N -0.398269 -1.440362 0.058826
N -1.364375 2.214483 -0.106049
N -3.317694 0.745047 0.012697
C -0.988970 -0.170088 0.013472
C -0.465574 1.161952 -0.069735
C -2.426910 -0.303555 0.045943
C 1.931891 0.488750 -0.086634
C -1.406974 -2.320336 0.116301
C 1.289298 2.896438 -0.277854
C -4.003637 -2.298808 0.162230
C 2.767584 0.346850 -1.206915
C 2.141615 -0.269563 1.076249
C -2.710201 1.954874 -0.061694
C 3.823783 -0.565245 -1.152685
C 3.200902 -1.179869 1.107968
C 4.043427 -1.325592 0.000895
H -1.309790 -3.394849 0.160470
H 0.971486 3.289239 -1.260463
H 2.380951 2.993764 -0.181562
H 0.806685 3.524428 0.496224
H -4.599114 -2.016703 -0.728765
H -3.922436 -3.396446 0.201897
H -4.563054 -1.949109 1.052433
H 2.586132 0.928864 -2.108202
H 1.470970 -0.168438 1.928650
H -3.364545 2.842883 -0.092623
H 4.474807 -0.687871 -2.017215
H 3.366475 -1.781100 2.001153
H 4.866620 -2.036561 0.034403


%chk=000227529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227529

0 1
N 0.869985 1.430509 -0.294283
N -2.729484 -1.670131 0.084970
N -0.452994 -1.515605 -0.179469
N -1.338353 2.167140 0.018153
N -3.310281 0.724154 0.232282
C -1.005371 -0.222991 -0.051002
C -0.460679 1.105933 -0.093604
C -2.424540 -0.307022 0.111265
C 1.951867 0.483996 -0.152280
C -1.511017 -2.339941 -0.091828
C 1.211468 2.861969 -0.497034
C -4.071724 -2.246739 0.213266
C 2.926430 0.377955 -1.174607
C 2.083366 -0.288687 1.026873
C -2.673572 1.929937 0.171183
C 4.022847 -0.497215 -1.018086
C 3.175341 -1.168177 1.174097
C 4.151577 -1.274614 0.156068
H -1.456275 -3.425511 -0.150124
H 0.617744 3.289790 -1.321267
H 2.285734 2.930998 -0.725193
H 0.987491 3.448829 0.411398
H -4.735038 -1.847241 -0.571856
H -4.005395 -3.342052 0.113312
H -4.506687 -1.994990 1.195102
H 2.810465 0.961936 -2.094557
H 1.331223 -0.201377 1.817196
H -3.307755 2.817967 0.253861
H 4.768577 -0.578961 -1.816704
H 3.267759 -1.765774 2.087688
H 5.001292 -1.955684 0.275579


