%chk=000209681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209681

0 1
N -2.175682 -0.962520 -0.154035
N -3.013843 3.116151 -1.373915
C -1.978162 0.385225 -0.766525
C -3.115875 0.641402 -1.770869
C -1.781315 -1.100497 1.237208
C -1.745021 -2.104170 -1.010552
C -0.644892 -0.537773 1.862134
C -2.996734 2.032879 -2.413689
C 0.388493 0.260890 1.114524
C 1.830982 0.007004 1.587285
C -2.699373 -1.853629 2.001413
C -0.259935 -2.233084 -1.263519
C -0.494677 -0.710579 3.249840
C -2.512008 -2.032571 3.369281
C 2.781973 0.970010 0.929591
C -1.407301 -1.450517 3.999366
C 0.302700 -1.732576 -2.446328
C 0.559157 -2.884131 -0.328787
C -2.629731 4.422590 -1.990116
C -4.354430 3.229085 -0.726631
C 3.225272 0.740850 -0.382330
C 3.229270 2.106650 1.620627
C 1.667873 -1.897421 -2.698727
C 1.923034 -3.047000 -0.584146
C 2.478985 -2.559456 -1.771800
C 4.109024 1.634824 -0.990949
C 4.113899 2.998054 1.007328
C 4.556828 2.764586 -0.298150
H -0.990217 0.496029 -1.264104
H -2.025073 1.163168 0.032325
H -3.110855 -0.126913 -2.567048
H -4.090794 0.530481 -1.254554
H -2.294788 -2.012430 -1.976625
H -2.127437 -3.039736 -0.537085
H -2.028029 2.102642 -2.957038
H -3.796647 2.153009 -3.175966
H 0.347001 0.044731 0.023521
H 0.147459 1.342025 1.218201
H 2.115705 -1.040712 1.353815
H 1.896961 0.089914 2.692047
H -3.572624 -2.282451 1.508555
H 0.362769 -0.257206 3.750692
H -3.227504 -2.614279 3.946537
H -1.261997 -1.572884 5.070201
H -0.323386 -1.219265 -3.173732
H 0.129995 -3.257318 0.601258
H -1.605264 4.344532 -2.387677
H -2.608854 5.194994 -1.204386
H -3.291808 4.770135 -2.795863
H -4.593022 2.272971 -0.230265
H -5.179531 3.481112 -1.407528
H -4.307220 3.996381 0.062227
H 2.875057 -0.136200 -0.926654
H 2.885809 2.297942 2.634843
H 2.098625 -1.512897 -3.621461
H 2.553610 -3.558815 0.141067
H 3.539497 -2.695993 -1.973304
H 4.450074 1.451392 -2.008029
H 4.458023 3.877372 1.548783
H 5.245753 3.458591 -0.773080


%chk=000209681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209681

0 1
N -1.069037 -1.077408 -0.246643
N -2.632811 2.840532 -1.185210
C -1.267157 0.123967 -1.105988
C -2.727748 0.341193 -1.579999
C -1.483417 -0.968648 1.123052
C -1.309301 -2.370464 -0.926475
C -0.806516 -0.065117 2.014318
C -2.925087 1.759622 -2.161013
C 0.405865 0.731863 1.543460
C 1.494160 0.980421 2.629040
C -2.539658 -1.778586 1.630896
C -0.359275 -2.607633 -2.099562
C -1.254997 0.015905 3.355362
C -2.950941 -1.692097 2.977320
C 2.748512 1.600532 2.029561
C -2.317155 -0.777682 3.845301
C -0.837891 -3.182698 -3.301913
C 1.021882 -2.304944 -1.989192
C -2.487435 4.153496 -1.846452
C -3.601465 2.893758 -0.070126
C 3.725266 0.786570 1.397780
C 2.953762 3.003838 2.050535
C 0.043807 -3.460558 -4.372471
C 1.904645 -2.577019 -3.056626
C 1.419274 -3.158471 -4.252686
C 4.873007 1.356965 0.803766
C 4.099420 3.580889 1.456090
C 5.063923 2.758583 0.829435
H -0.598573 0.040256 -1.983521
H -0.964408 1.023354 -0.549790
H -3.001170 -0.389712 -2.366412
H -3.419525 0.172751 -0.732174
H -2.357718 -2.481021 -1.291670
H -1.153521 -3.166307 -0.172397
H -2.235072 1.892953 -3.017904
H -3.967076 1.849136 -2.567566
H 0.865325 0.188864 0.695035
H 0.097370 1.718081 1.137905
H 1.736230 0.014913 3.113656
H 1.095606 1.647526 3.416555
H -3.060519 -2.468608 0.958807
H -0.744396 0.697195 4.045159
H -3.770014 -2.324677 3.338533
H -2.632460 -0.691057 4.890826
H -1.906044 -3.415294 -3.401537
H 1.387049 -1.844676 -1.063694
H -1.691745 4.100170 -2.610919
H -2.194587 4.914891 -1.101190
H -3.425669 4.506471 -2.346991
H -3.583912 1.952801 0.505170
H -4.652844 3.073484 -0.413899
H -3.322118 3.710622 0.618884
H 3.587031 -0.302255 1.380697
H 2.211112 3.647432 2.539190
H -0.342015 -3.905878 -5.296677
H 2.969531 -2.336287 -2.958826
H 2.104635 -3.369456 -5.081411
H 5.619623 0.711728 0.326282
H 4.241427 4.667449 1.484604
H 5.954614 3.202942 0.370921


