%chk=000296818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296818

0 1
N -0.893857 -0.870170 -1.899729
N -0.750144 1.388052 -1.063975
C 0.513961 -0.590494 -1.451290
C -1.721737 0.332123 -1.486982
C 0.454359 0.901517 -1.026936
C 0.865053 -1.521365 -0.311411
C -2.677163 0.005515 -0.351862
C 1.654208 1.681083 -0.688507
C 1.791699 -2.551814 -0.533030
C 0.276640 -1.374577 0.952680
C -3.328244 1.063703 0.302676
C -2.949291 -1.316404 0.021465
C 2.824680 1.052411 -0.233044
C 1.628141 3.081381 -0.824950
C 2.132093 -3.420745 0.507305
C 0.621171 -2.246448 1.988876
C -4.245968 0.796308 1.320648
C -3.871450 -1.578125 1.039904
C 1.550365 -3.268422 1.769846
C 3.954259 1.815054 0.073385
C 2.761956 3.837170 -0.519332
C -4.521470 -0.525129 1.689367
C 3.926636 3.205887 -0.071410
H 1.239668 -0.715266 -2.291946
H -2.320243 0.722767 -2.354437
H -0.931223 -1.009606 -2.912159
H 2.241573 -2.685740 -1.514395
H -0.460062 -0.586770 1.124130
H -3.106073 2.094609 0.023763
H -2.433456 -2.142063 -0.475431
H 2.857267 -0.030326 -0.102621
H 0.714231 3.575112 -1.163863
H 2.849712 -4.220216 0.332064
H 0.160401 -2.129060 2.968733
H -4.746508 1.618520 1.828193
H -4.080225 -2.607107 1.326371
H 1.817020 -3.945651 2.578488
H 4.858048 1.322772 0.429597
H 2.735824 4.920539 -0.627083
H -5.238825 -0.731344 2.480664
H 4.809776 3.796520 0.167438


%chk=000296818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296818

0 1
N -0.972681 -1.030569 -1.408103
N -0.772629 1.261568 -0.913864
C 0.474901 -0.764561 -1.278111
C -1.754294 0.224104 -1.347115
C 0.430716 0.731382 -0.870950
C 1.156555 -1.709994 -0.282961
C -2.963220 0.178826 -0.401342
C 1.623860 1.537702 -0.524253
C 2.149879 -2.617351 -0.723239
C 0.779031 -1.713341 1.083347
C -3.907034 1.234868 -0.438991
C -3.150225 -0.887118 0.507782
C 2.940235 1.014681 -0.636250
C 1.453234 2.883123 -0.091324
C 2.761055 -3.515215 0.182530
C 1.392079 -2.601239 1.991782
C -5.021391 1.229124 0.427435
C -4.268657 -0.896869 1.373540
C 2.385014 -3.506995 1.544579
C 4.058337 1.819136 -0.326392
C 2.569476 3.682073 0.220061
C -5.206241 0.160520 1.337277
C 3.879030 3.153512 0.103139
H 1.020359 -0.848553 -2.250324
H -2.120818 0.549309 -2.350225
H -1.269672 -1.761950 -2.055186
H 2.441739 -2.627156 -1.782299
H 0.003853 -1.018677 1.427421
H -3.759179 2.066679 -1.138671
H -2.415529 -1.699202 0.515466
H 3.095693 -0.021218 -0.951439
H 0.434471 3.274724 -0.010460
H 3.523902 -4.217459 -0.172510
H 1.099512 -2.589782 3.047928
H -5.744051 2.052525 0.395059
H -4.408859 -1.729077 2.073188
H 2.857869 -4.198874 2.250700
H 5.067977 1.403172 -0.415402
H 2.423870 4.715206 0.554698
H -6.073455 0.152262 2.007555
H 4.748092 3.774907 0.347125


