%chk=000213816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213816

0 1
O -0.725064 -0.959989 0.232098
N -4.202176 0.170692 0.164834
C 0.599261 -0.496225 0.586373
C 1.376315 -1.797281 0.821284
C 1.187698 0.302132 -0.588065
C 2.829034 -1.478801 1.180823
C 2.686320 0.386255 -0.548616
C 3.460357 -0.467471 0.261518
C -1.773680 0.032621 0.359845
C -3.040685 -0.755696 -0.010437
C 3.327689 1.330723 -1.366904
C 4.860062 -0.359678 0.238417
C -4.783206 0.048679 1.544453
C -5.246194 -0.034213 -0.892834
C 4.719730 1.429833 -1.382246
C 5.488087 0.582294 -0.577974
C -5.594481 1.301000 1.880519
C -4.748960 0.511382 -2.232272
H 0.541551 0.121002 1.507186
H 1.325136 -2.426266 -0.090235
H 0.890064 -2.390307 1.617966
H 0.741370 1.315238 -0.617087
H 0.874109 -0.185484 -1.539009
H 3.419005 -2.418755 1.178111
H 2.884991 -1.093664 2.222072
H -1.795448 0.413104 1.393962
H -1.584995 0.862510 -0.340221
H -2.955114 -1.098599 -1.064987
H -3.100263 -1.681937 0.599421
H 2.734730 1.991172 -1.997009
H 5.463401 -1.016693 0.862256
H -5.411404 -0.859759 1.668312
H -3.944550 -0.045580 2.270274
H -5.548072 -1.098381 -0.999479
H -6.158995 0.526764 -0.588224
H 5.205688 2.165175 -2.019928
H 6.573294 0.656135 -0.588389
H -5.009198 2.209835 1.683721
H -6.506039 1.374364 1.276660
H -5.886990 1.309043 2.935085
H -4.392589 1.544873 -2.124258
H -3.911143 -0.073520 -2.629143
H -5.547744 0.505771 -2.980273


%chk=000213816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213816

0 1
O -0.754006 -1.215815 0.050201
N -4.243063 0.146182 0.132638
C 0.604819 -0.780332 0.410878
C 1.469331 -2.046077 0.480609
C 1.191306 0.207899 -0.620037
C 2.883286 -1.697110 0.993894
C 2.694783 0.422721 -0.450003
C 3.500215 -0.494681 0.282408
C -1.771569 -0.159559 0.145901
C -3.141217 -0.843185 0.017054
C 3.309187 1.549511 -1.054650
C 4.896742 -0.264492 0.375514
C -4.638992 0.396480 1.545309
C -5.396761 -0.148034 -0.757825
C 4.698461 1.771389 -0.954847
C 5.500235 0.854588 -0.234872
C -5.264396 1.788479 1.758977
C -5.110229 0.183352 -2.234865
H 0.574060 -0.296828 1.416405
H 1.522040 -2.491048 -0.531657
H 0.984430 -2.784473 1.143990
H 0.672327 1.183945 -0.569774
H 0.985227 -0.209758 -1.627570
H 3.549678 -2.574575 0.891518
H 2.830156 -1.479102 2.081504
H -1.679783 0.368349 1.121956
H -1.658081 0.589592 -0.663768
H -3.185167 -1.332340 -0.972005
H -3.215983 -1.655284 0.777576
H 2.685455 2.259460 -1.613045
H 5.516084 -0.976058 0.936891
H -5.338608 -0.394453 1.919242
H -3.727079 0.322048 2.167167
H -5.722783 -1.215543 -0.666131
H -6.249658 0.468537 -0.419919
H 5.151920 2.647503 -1.431872
H 6.581496 1.011829 -0.151234
H -4.555969 2.574600 1.444602
H -6.193660 1.916436 1.175215
H -5.516157 1.940514 2.825403
H -4.853732 1.251875 -2.340699
H -4.266834 -0.410060 -2.632421
H -5.996607 -0.034182 -2.860060


