%chk=000292642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292642

0 1
N -1.166814 0.345630 -0.000067
N -0.201701 -0.609982 -0.000475
N -0.700401 1.620077 0.000596
N -2.354765 -2.414559 -0.000199
C 0.986973 0.079517 -0.000084
C 2.355295 -0.365116 -0.000174
C 0.668183 1.498135 0.000166
C 3.355281 0.643228 0.000027
C 1.708545 2.484076 0.000321
C -2.581100 0.058977 -0.000190
C 2.997876 2.054487 0.000232
C 2.719174 -1.731623 -0.000537
C 4.716112 0.246076 -0.000041
C -3.118533 -1.264557 0.000094
C 4.056148 -2.090165 -0.000608
C 5.058212 -1.095475 -0.000342
C -3.463674 1.165803 -0.000516
C -4.538901 -1.415604 0.000374
C -4.837299 0.987067 -0.000354
C -5.372868 -0.313903 0.000133
H 1.430166 3.536753 0.000677
H 3.819812 2.771746 0.000466
H 1.934261 -2.487677 -0.000747
H 5.493064 1.009564 0.000095
H 4.345237 -3.139878 -0.000865
H -3.052312 2.182552 -0.000859
H 6.105464 -1.394959 -0.000418
H -4.963348 -2.416986 0.000699
H -5.500945 1.848067 -0.000589
H -6.455615 -0.449328 0.000315
H -1.342967 -2.394050 0.000184
H -2.794558 -3.315893 0.001282


%chk=000292642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292642

0 1
N -1.192095 0.369508 -0.000129
N -0.214556 -0.621986 -0.000297
N -0.717706 1.667838 -0.000424
N -2.251657 -2.358957 0.000725
C 0.960440 0.093578 -0.000360
C 2.320060 -0.380836 -0.000435
C 0.649755 1.496358 0.000160
C 3.347909 0.636540 0.000034
C 1.681949 2.490242 0.000601
C -2.595617 0.090389 -0.000056
C 2.996948 2.047700 0.000533
C 2.684194 -1.757741 -0.000816
C 4.714942 0.221847 0.000014
C -3.090747 -1.259751 0.000357
C 4.035635 -2.132976 -0.000813
C 5.056508 -1.137979 -0.000407
C -3.488884 1.191545 -0.000447
C -4.511006 -1.432953 0.000340
C -4.877894 0.988420 -0.000418
C -5.386412 -0.337288 -0.000023
H 1.427368 3.553476 0.000829
H 3.816063 2.776179 0.000777
H 1.895161 -2.517087 -0.001125
H 5.500613 0.986644 0.000355
H 4.310404 -3.193300 -0.001123
H -3.062296 2.197388 -0.000759
H 6.109452 -1.439833 -0.000400
H -4.907831 -2.455442 0.000626
H -5.556879 1.846237 -0.000729
H -6.468145 -0.511153 -0.000007
H -1.237114 -2.188413 0.000775
H -2.644560 -3.296192 0.001239


