%chk=000219296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219296

0 1
O -0.386963 -1.015528 -1.790025
O 1.978253 -0.291125 1.409226
N -1.720290 1.071279 0.130398
C -4.477672 1.769063 -0.615409
C -4.085830 1.376606 0.822449
C -3.250671 2.381848 -1.318091
C -2.883148 0.421078 0.825017
C -2.058300 1.413971 -1.290768
C -0.487544 0.240876 0.267097
C -5.654014 2.749584 -0.613214
C 0.749433 1.071277 -0.119833
C -0.532293 -1.050105 -0.587667
C 2.001162 0.603446 0.584980
C -0.821481 -2.320891 0.141899
C 3.285341 1.273990 0.216376
C -0.108368 -2.661835 1.298645
C -1.801515 -3.187989 -0.363677
C 3.330211 2.537684 -0.389882
C 4.483216 0.600154 0.507111
C -0.388858 -3.862242 1.957268
C -2.085426 -4.381413 0.304457
C -1.379659 -4.718027 1.465115
C 4.561090 3.116693 -0.708670
C 5.712423 1.178808 0.182388
C 5.751513 2.437132 -0.426259
H -4.784576 0.847559 -1.168395
H -4.937775 0.901622 1.340701
H -3.835894 2.286520 1.403515
H -2.970090 3.330807 -0.820304
H -3.492989 2.639380 -2.364686
H -2.582421 0.208793 1.874670
H -3.166978 -0.550915 0.366319
H -2.277087 0.515381 -1.910233
H -1.172739 1.900385 -1.752483
H -0.393219 -0.032448 1.357719
H -5.410863 3.676863 -0.082462
H -5.946118 3.024115 -1.632618
H -6.534165 2.316052 -0.126285
H 0.556537 2.140056 0.131827
H 0.900255 1.045372 -1.223004
H 0.678073 -1.996575 1.678154
H -2.331149 -2.930051 -1.281674
H 2.410904 3.079820 -0.611129
H 4.440803 -0.378954 0.993312
H 0.168259 -4.130047 2.853888
H -2.849675 -5.052856 -0.082775
H -1.599234 -5.650811 1.983066
H 4.593871 4.098709 -1.178083
H 6.638147 0.650411 0.405836
H 6.709718 2.890382 -0.679708


%chk=000219296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219296

0 1
O -0.345188 -1.122138 -1.830877
O 2.081149 -0.351864 1.308552
N -1.717429 0.910695 0.064934
C -4.455921 1.877679 -0.440365
C -3.969437 1.441400 0.963933
C -3.237136 2.339062 -1.277902
C -2.851034 0.382827 0.868346
C -2.128873 1.264403 -1.316873
C -0.426225 0.176473 0.229434
C -5.541851 2.970379 -0.357296
C 0.771296 1.031986 -0.213505
C -0.487926 -1.153388 -0.566829
C 2.071319 0.598473 0.466622
C -0.877514 -2.424654 0.125089
C 3.339646 1.328661 0.129798
C -0.567177 -2.664883 1.491239
C -1.533625 -3.436073 -0.629061
C 3.373690 2.410120 -0.791792
C 4.545206 0.920142 0.763307
C -0.921039 -3.892605 2.091687
C -1.899837 -4.653631 -0.022651
C -1.596326 -4.883880 1.341795
C 4.589178 3.070016 -1.071117
C 5.758188 1.578329 0.483306
C 5.783141 2.656410 -0.435112
H -4.892474 0.984497 -0.940051
H -4.813618 1.029353 1.551503
H -3.582378 2.327031 1.506223
H -2.824940 3.268294 -0.835549
H -3.552512 2.572430 -2.314124
H -2.475046 0.128848 1.876787
H -3.277475 -0.553139 0.428628
H -2.497094 0.371902 -1.879867
H -1.249482 1.640560 -1.866744
H -0.325348 -0.030407 1.306420
H -5.147026 3.877576 0.139753
H -5.895437 3.263701 -1.363669
H -6.417961 2.622890 0.222231
H 0.562619 2.092086 0.035084
H 0.896522 0.967032 -1.312647
H -0.002740 -1.921272 2.062728
H -1.738586 -3.243502 -1.687638
H 2.457176 2.738009 -1.292832
H 4.498264 0.083633 1.468463
H -0.662994 -4.080332 3.139739
H -2.415105 -5.424594 -0.606340
H -1.875972 -5.832938 1.813318
H 4.608339 3.902607 -1.782675
H 6.682726 1.256481 0.974844
H 6.726471 3.169220 -0.654147


