%chk=000216742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216742

0 1
N 0.805776 1.230363 0.959583
N 3.323124 -0.085217 0.345556
C 0.888199 0.160955 -0.090053
C 1.828480 0.963156 2.025790
C 2.294319 0.166142 -0.718187
C 3.235096 0.985362 1.393346
C -0.569703 1.281611 1.564063
C 4.701915 -0.126448 -0.247663
C -1.566327 1.782046 0.543568
C -2.755339 1.088764 0.246313
C -1.296103 2.996986 -0.108455
C -3.105596 -0.224262 0.899780
C 4.879539 -1.412327 -1.010421
C -3.653399 1.630297 -0.688884
C -2.192638 3.525263 -1.037569
C -2.269587 -1.368012 0.385580
C -3.377410 2.840695 -1.326093
C 5.709025 -1.536683 -2.043917
C -2.079526 -1.544290 -0.994227
C -1.691038 -2.276193 1.285321
C -1.313908 -2.612852 -1.465353
C -0.925112 -3.343620 0.807544
C -0.733294 -3.514144 -0.566570
H 0.131172 0.384978 -0.873692
H 0.653753 -0.852922 0.305855
H 1.669882 -0.007836 2.544238
H 1.759260 1.766303 2.789089
H 2.363901 -0.651260 -1.467746
H 2.459733 1.123905 -1.258153
H 3.447054 2.000985 0.993367
H 3.990627 0.769605 2.178113
H -0.544900 2.005654 2.412447
H -0.881029 0.305512 1.995926
H 5.444770 -0.114130 0.585407
H 4.931242 0.756972 -0.883499
H -0.361505 3.518048 0.110650
H -4.178556 -0.470450 0.731526
H -3.015480 -0.126368 2.002968
H 4.285890 -2.250078 -0.633806
H -4.575062 1.100028 -0.922061
H -1.969656 4.466104 -1.536017
H -4.082175 3.249335 -2.047270
H 5.854951 -2.466427 -2.573640
H 6.306169 -0.730666 -2.442243
H -2.525487 -0.840416 -1.696147
H -1.836500 -2.156315 2.356311
H -1.168208 -2.744030 -2.536481
H -0.474835 -4.043363 1.510016
H -0.134404 -4.343660 -0.935510


%chk=000216742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216742

0 1
N 0.990045 1.040642 0.862661
N 3.700204 0.167055 0.317766
C 1.295829 0.149802 -0.287473
C 1.959912 0.815041 1.961400
C 2.729300 0.388227 -0.783110
C 3.394759 1.056405 1.463725
C -0.416689 0.914343 1.313343
C 5.111456 0.277787 -0.126664
C -1.416903 1.556630 0.349614
C -2.764000 1.095308 0.255758
C -1.012444 2.674026 -0.421601
C -3.270689 -0.106709 1.051573
C 5.504611 -0.848805 -1.060497
C -3.660348 1.773454 -0.609625
C -1.913957 3.337491 -1.281664
C -2.753962 -1.469935 0.573066
C -3.249433 2.885974 -1.376658
C 6.174100 -0.692579 -2.229529
C -2.566422 -1.742610 -0.806061
C -2.492870 -2.503616 1.509009
C -2.130944 -3.015974 -1.237363
C -2.059595 -3.779020 1.081528
C -1.875812 -4.040169 -0.296003
H 0.580342 0.364345 -1.101470
H 1.180573 -0.926011 -0.004143
H 1.893425 -0.227657 2.363544
H 1.734082 1.518164 2.785689
H 2.960527 -0.311198 -1.606340
H 2.805744 1.430778 -1.186456
H 3.499662 2.137271 1.188059
H 4.107757 0.840170 2.281961
H -0.494596 1.427405 2.294735
H -0.689476 -0.153216 1.490757
H 5.742602 0.219673 0.784691
H 5.331695 1.263517 -0.611916
H 0.029364 3.000656 -0.329707
H -4.377629 -0.115484 0.993528
H -3.026312 0.005029 2.125816
H 5.222138 -1.853593 -0.713047
H -4.697233 1.420560 -0.678958
H -1.578929 4.200260 -1.868882
H -3.962232 3.392174 -2.037430
H 6.463646 -1.551754 -2.844922
H 6.454774 0.300834 -2.602499
H -2.752430 -0.950307 -1.540297
H -2.629952 -2.307547 2.580401
H -1.989488 -3.208747 -2.307200
H -1.861126 -4.564210 1.820153
H -1.535976 -5.026782 -0.630560


