%chk=000248151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248151

0 1
N 3.577642 1.180774 -0.002219
N 2.298564 0.730677 -0.001406
C -2.755631 0.266543 -0.000105
C -4.168820 -0.177539 0.000217
C -2.448541 1.635580 0.000134
C -1.719996 -0.678997 -0.000659
C -0.075605 1.109426 -0.000713
C -1.118400 2.055060 -0.000162
C -0.388750 -0.261120 -0.000962
C -4.837768 -0.388335 1.215150
C -4.838528 -0.387705 -1.214400
C -6.170954 -0.807212 1.211678
C -6.171716 -0.806590 -1.210307
C 1.315242 1.597313 -0.001010
C -6.839147 -1.016591 0.000839
C 4.644534 0.232943 -0.000622
C 5.958368 0.747995 0.000282
C 4.420139 -1.157656 -0.000495
C 7.035116 -0.140131 0.001213
C 5.513807 -2.021635 0.000467
C 6.821479 -1.521491 0.001318
H -3.252786 2.370280 0.000555
H -1.957422 -1.742379 -0.000855
H -0.892282 3.119790 0.000020
H 0.414701 -1.000215 -0.001416
H -4.315969 -0.225522 2.156739
H -4.317328 -0.224407 -2.156236
H -6.689834 -0.971005 2.154648
H -6.691181 -0.969893 -2.153040
H 1.427964 2.690126 -0.000651
H -7.877107 -1.342889 0.001084
H 3.810251 2.177148 -0.000680
H 6.141151 1.818207 0.000195
H 3.402715 -1.548667 -0.001183
H 8.052140 0.251823 0.001872
H 5.346266 -3.098899 0.000554
H 7.666287 -2.205009 0.002054


%chk=000248151-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248151

0 1
N 3.612335 1.089751 -0.000146
N 2.333936 0.603970 -0.000084
C -2.821775 0.250137 0.000055
C -4.265881 -0.161644 0.000117
C -2.455878 1.621109 0.000028
C -1.785910 -0.725592 0.000028
C -0.063718 1.029064 -0.000051
C -1.099422 2.004881 -0.000024
C -0.431135 -0.347868 -0.000024
C -4.961329 -0.360761 1.221821
C -4.961454 -0.360718 -1.221523
C -6.320450 -0.749287 1.222343
C -6.320575 -0.749245 -1.221918
C 1.333896 1.467381 -0.000111
C -7.004671 -0.944922 0.000243
C 4.728108 0.227068 -0.000051
C 6.029714 0.797986 -0.000218
C 4.574008 -1.184962 0.000200
C 7.164622 -0.038491 -0.000137
C 5.719799 -2.006044 0.000270
C 7.020151 -1.445971 0.000102
H -3.240940 2.385596 0.000049
H -2.055663 -1.787966 0.000046
H -0.837439 3.070835 -0.000044
H 0.361002 -1.103377 -0.000048
H -4.432411 -0.210182 2.169997
H -4.432633 -0.210107 -2.169748
H -6.843102 -0.899040 2.174048
H -6.843324 -0.898965 -2.173575
H 1.512431 2.562834 -0.000156
H -8.058275 -1.246625 0.000292
H 3.784107 2.106407 -0.000175
H 6.151159 1.889377 -0.000407
H 3.566653 -1.607986 0.000345
H 8.163827 0.411509 -0.000261
H 5.595484 -3.095110 0.000463
H 7.903350 -2.093242 0.000152


