%chk=000218004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218004

0 1
N 1.366750 -0.854434 0.279969
N 2.874839 -3.343373 0.097211
C 0.808589 0.345734 1.006251
C 2.867213 -0.878570 0.386289
C 0.829770 -2.142340 0.835973
C 3.421850 -2.054250 -0.441283
C 1.377324 -3.324229 0.010469
C -0.740041 0.353206 1.021686
C 1.305770 1.628513 0.354686
C -1.381056 0.295475 -0.371682
C 3.425969 -4.502761 -0.666111
C 1.455025 1.740238 -1.035778
C 1.593071 2.734175 1.170046
C -2.864355 0.071307 -0.266787
C 1.885526 2.942355 -1.602256
C 2.021702 3.935799 0.599049
C -3.392220 -1.226624 -0.348864
C -3.732476 1.158544 -0.078676
C 2.168766 4.043156 -0.787130
C -4.770658 -1.432011 -0.246502
C -5.109699 0.947949 0.023462
C -5.632488 -0.346723 -0.060107
H 1.143679 0.338774 2.082361
H 3.219486 -0.963161 1.437775
H 3.271865 0.073063 -0.020730
H -0.278654 -2.133938 0.756854
H 1.086172 -2.286182 1.908520
H 3.186509 -1.898437 -1.516519
H 4.527996 -2.079717 -0.344076
H 0.993752 -4.275455 0.436615
H 1.004653 -3.253700 -1.034549
H -1.079933 1.270416 1.544415
H -1.108805 -0.492665 1.635531
H -1.167314 1.234326 -0.923765
H -0.898861 -0.503429 -0.975203
H 4.521602 -4.518300 -0.549724
H 3.191891 -4.507645 -1.740657
H 3.043913 -5.436509 -0.223237
H 1.240787 0.877141 -1.669499
H 1.481971 2.663056 2.250025
H 1.999738 3.021920 -2.681866
H 2.241689 4.789864 1.236951
H -2.727359 -2.074900 -0.495095
H -3.331103 2.167781 -0.013083
H 2.502336 4.978808 -1.229947
H -5.174345 -2.440702 -0.312950
H -5.777990 1.795050 0.167892
H -6.704744 -0.508296 0.018549


%chk=000218004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218004

0 1
N 1.423348 -0.905081 0.278893
N 2.982993 -3.363613 0.051204
C 0.822461 0.274523 0.972231
C 2.908162 -0.913588 0.413356
C 0.889941 -2.213156 0.743306
C 3.527635 -2.061342 -0.396281
C 1.507808 -3.365556 -0.066375
C -0.737495 0.234110 0.987794
C 1.300600 1.591917 0.349025
C -1.413152 0.139236 -0.408133
C 3.606150 -4.506530 -0.641072
C 1.508492 1.720376 -1.048301
C 1.479764 2.732527 1.170414
C -2.927157 0.053167 -0.285711
C 1.884328 2.960921 -1.609080
C 1.850991 3.977180 0.612697
C -3.588947 -1.202056 -0.263202
C -3.711187 1.228749 -0.147354
C 2.053994 4.096270 -0.781779
C -4.991183 -1.283472 -0.103455
C -5.113086 1.153979 0.012075
C -5.759221 -0.104310 0.036374
H 1.137414 0.281768 2.050908
H 3.208310 -1.026188 1.485517
H 3.307829 0.047567 0.048124
H -0.204028 -2.241006 0.604046
H 1.104489 -2.378047 1.829433
H 3.328714 -1.884712 -1.485461
H 4.623909 -2.063972 -0.246829
H 1.121879 -4.328293 0.319485
H 1.180830 -3.266004 -1.134667
H -1.085558 1.156295 1.491392
H -1.083824 -0.605184 1.620679
H -1.128579 1.027928 -1.000955
H -1.014896 -0.742055 -0.944161
H 4.698384 -4.491455 -0.474391
H 3.425231 -4.507932 -1.746693
H 3.210564 -5.452597 -0.229195
H 1.389317 0.830794 -1.677070
H 1.333311 2.643699 2.254839
H 2.045091 3.042969 -2.690353
H 1.988277 4.848316 1.263623
H -3.000539 -2.121468 -0.379540
H -3.216742 2.208388 -0.171495
H 2.346061 5.058887 -1.216628
H -5.484379 -2.262455 -0.092639
H -5.701439 2.073437 0.112606
H -6.846761 -0.164636 0.157300


