%chk=000197724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197724

0 1
N 0.671579 -2.401435 0.001252
N 0.671635 2.401422 -0.001263
C 0.361160 -0.000003 -0.000005
C -1.018114 0.000013 -0.000002
C 1.190713 -1.196442 0.000608
C 1.190741 1.196417 -0.000622
C 2.596799 -0.721242 0.000377
C 2.596816 0.721184 -0.000399
C -1.614681 -1.330833 0.000059
C -1.614650 1.330873 -0.000066
C -0.742404 -2.469485 0.000965
C -0.742346 2.469505 -0.000972
C 3.783112 -1.425353 0.000758
C 3.783145 1.425267 -0.000789
C -3.010224 -1.584187 -0.001050
C -3.010187 1.584260 0.001047
C -1.280471 -3.788761 0.001459
C -1.280382 3.788794 -0.001469
C 4.993488 -0.695057 0.000352
C 4.993505 0.694943 -0.000405
C -3.516452 -2.867922 -0.000772
C -3.516385 2.868007 0.000767
C -2.644399 -3.982374 0.000649
C -2.644305 3.982439 -0.000658
H 3.788225 -2.515681 0.001354
H 3.788285 2.515595 -0.001382
H -3.706195 -0.737466 -0.002268
H -3.706177 0.737556 0.002270
H -0.584582 -4.631454 0.002434
H -0.584473 4.631471 -0.002448
H 5.937507 -1.240275 0.000644
H 5.937536 1.240138 -0.000707
H -4.592770 -3.036306 -0.001707
H -4.592698 3.036417 0.001705
H -3.062833 -4.988859 0.001046
H -3.062716 4.988933 -0.001061


%chk=000197724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197724

0 1
N 0.676319 -2.415377 0.000929
N 0.676375 2.415364 -0.000944
C 0.345441 -0.000003 -0.000007
C -1.055446 0.000014 -0.000003
C 1.173886 -1.181760 0.000436
C 1.173914 1.181735 -0.000453
C 2.584467 -0.719602 0.000266
C 2.584484 0.719544 -0.000291
C -1.647560 -1.354183 0.000065
C -1.647528 1.354224 -0.000073
C -0.733292 -2.498021 0.000717
C -0.733233 2.498041 -0.000726
C 3.791609 -1.437894 0.000554
C 3.791643 1.437807 -0.000587
C -3.048453 -1.655406 -0.000579
C -3.048414 1.655480 0.000577
C -1.249889 -3.829458 0.001180
C -1.249799 3.829490 -0.001191
C 5.012402 -0.708664 0.000257
C 5.012418 0.708549 -0.000306
C -3.530239 -2.972560 -0.000304
C -3.530170 2.972646 0.000301
C -2.627926 -4.074416 0.000709
C -2.627830 4.074480 -0.000716
H 3.789741 -2.532409 0.000994
H 3.789801 2.532323 -0.001025
H -3.781081 -0.849690 -0.001464
H -3.781061 0.849781 0.001466
H -0.516582 -4.640563 0.001858
H -0.516473 4.640577 -0.001873
H 5.963737 -1.252556 0.000470
H 5.963767 1.252419 -0.000527
H -4.610737 -3.154200 -0.000901
H -4.610663 3.154311 0.000901
H -3.013473 -5.099784 0.001104
H -3.013353 5.099857 -0.001115


