%chk=000197209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197209

0 1
S 2.146207 -1.208460 1.948658
S 1.976793 -3.606794 0.207126
N -4.034345 0.598929 0.334710
C -1.302186 0.061886 -0.496725
C -2.341031 -1.025695 -0.491169
C -1.885250 1.446960 -0.577488
C -3.434731 -0.757486 0.558522
C -2.985847 1.662096 0.475927
C 0.025025 -0.172216 -0.453167
C 1.035050 0.914276 -0.417494
C 0.623671 -1.513894 -0.410996
C -5.149866 0.838579 1.298694
C 1.703730 1.204487 0.792473
C 1.482968 -1.969215 0.551207
C 1.368456 0.436053 2.024678
C 1.350784 1.629587 -1.579408
C 0.378971 -2.501519 -1.450339
C 2.678476 2.211373 0.815892
C 2.322154 2.634148 -1.543232
C 1.034062 -3.675125 -1.254310
C 2.984587 2.923921 -0.347219
H -2.803782 -1.080058 -1.500965
H -1.899832 -2.024342 -0.298714
H -1.113335 2.233870 -0.463372
H -2.315616 1.587147 -1.594068
H -4.243282 -1.512003 0.445596
H -3.012021 -0.883467 1.578746
H -2.533024 1.694888 1.490170
H -3.471497 2.647122 0.303716
H -5.608460 1.816429 1.079583
H -4.862115 0.820352 2.359885
H -5.931121 0.078004 1.137833
H 1.757906 0.909476 2.948999
H 0.271239 0.334560 2.157057
H 0.841716 1.393544 -2.512590
H -0.261625 -2.276556 -2.292797
H 3.207100 2.436044 1.740695
H 2.565430 3.186295 -2.449024
H 1.026595 -4.558414 -1.868665
H 3.744646 3.702618 -0.320427


%chk=000197209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197209

0 1
S 2.333517 -1.317197 2.029415
S 2.121747 -3.714840 0.138614
N -4.062900 0.603598 0.336849
C -1.319840 0.050500 -0.519311
C -2.374363 -1.046312 -0.487049
C -1.926516 1.440493 -0.642095
C -3.466841 -0.731178 0.566525
C -3.035298 1.665346 0.415490
C 0.029333 -0.178088 -0.386989
C 1.035635 0.942369 -0.363774
C 0.622815 -1.554437 -0.353110
C -5.213820 0.866467 1.222028
C 1.778226 1.212873 0.825004
C 1.576902 -2.035276 0.548073
C 1.494261 0.409047 2.062807
C 1.308381 1.704185 -1.528021
C 0.331026 -2.535735 -1.390533
C 2.764622 2.230192 0.823372
C 2.288808 2.720685 -1.520814
C 1.025164 -3.721247 -1.287292
C 3.021551 2.986037 -0.340627
H -2.871925 -1.113995 -1.476083
H -1.929787 -2.029646 -0.259697
H -1.162365 2.229657 -0.544530
H -2.395425 1.543516 -1.642109
H -4.268604 -1.490528 0.502544
H -3.013829 -0.806356 1.591000
H -2.565263 1.706190 1.434817
H -3.523761 2.641785 0.237113
H -5.663521 1.843069 0.967455
H -4.943986 0.883676 2.309040
H -5.982477 0.086610 1.074694
H 1.922063 0.860944 2.972293
H 0.419092 0.222269 2.210575
H 0.749773 1.485559 -2.445104
H -0.366162 -2.321431 -2.204726
H 3.331754 2.428357 1.740981
H 2.484260 3.298219 -2.431210
H 0.999505 -4.599759 -1.928602
H 3.784847 3.771782 -0.329015


