%chk=000206038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206038

0 1
N 0.424575 -0.350067 -0.261716
N -0.444074 0.362234 0.263865
N 3.021622 -2.347928 -0.933711
N -3.042928 2.357229 0.937271
C 1.634141 -0.693157 0.575993
C -1.653576 0.705427 -0.573959
C 2.476799 0.563869 0.902715
C -2.495280 -0.551619 -0.902902
C 2.974978 1.310796 -0.340893
C -2.994144 -1.300284 0.339389
C 1.232358 -1.432842 1.860424
C -1.251430 1.447148 -1.857116
C 3.767756 2.556530 0.044348
C -3.785513 -2.546250 -0.048000
C 2.408966 -1.620406 -0.280921
C -2.429462 1.631003 0.283801
H 3.340827 0.266909 1.530741
H 1.869208 1.247122 1.533237
H -1.886813 -1.233834 -1.533731
H -3.358918 -0.254384 -1.531327
H 2.119412 1.596386 -0.984820
H 3.607167 0.642556 -0.960823
H -3.627503 -0.633211 0.959377
H -2.139011 -1.585902 0.983885
H 0.637675 -0.786562 2.522187
H 0.625963 -2.323422 1.647009
H 2.110554 -1.766665 2.427168
H -0.656241 0.802041 -2.519551
H -2.129489 1.781512 -2.423766
H -0.645466 2.337638 -1.642098
H 3.161416 3.263464 0.622795
H 4.124697 3.086846 -0.846884
H 4.648838 2.308637 0.647801
H -4.665471 -2.298571 -0.653178
H -4.144029 -3.077111 0.842274
H -3.177608 -3.252633 -0.625482


%chk=000206038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206038

0 1
N 0.385182 -0.386533 -0.320555
N -0.401177 0.394755 0.316769
N 3.107416 -2.397822 -0.967482
N -3.111640 2.424418 0.954596
C 1.635626 -0.734027 0.521306
C -1.651369 0.742686 -0.525279
C 2.440383 0.563941 0.850642
C -2.460320 -0.554068 -0.849198
C 3.006988 1.313742 -0.374424
C -3.029108 -1.297136 0.378956
C 1.194738 -1.461596 1.821247
C -1.209324 1.464106 -1.828240
C 3.771802 2.587455 0.043378
C -3.797988 -2.570102 -0.033627
C 2.438325 -1.653514 -0.319956
C -2.450699 1.667590 0.313239
H 3.268966 0.286392 1.530744
H 1.749260 1.218789 1.415819
H -1.771371 -1.213363 -1.411840
H -3.288161 -0.276656 -1.530261
H 2.183215 1.584299 -1.064024
H 3.681701 0.643669 -0.941745
H -3.701640 -0.622674 0.943657
H -2.206111 -1.567528 1.069540
H 0.584257 -0.769496 2.424904
H 0.598257 -2.360994 1.590169
H 2.080265 -1.771151 2.401072
H -0.601463 0.767933 -2.429863
H -2.094393 1.774207 -2.408469
H -0.609919 2.362534 -1.600980
H 3.114019 3.289160 0.589759
H 4.171840 3.117899 -0.839351
H 4.625046 2.342187 0.703327
H -4.650646 -2.324787 -0.694315
H -4.199429 -3.095820 0.851290
H -3.142532 -3.275997 -0.577404


