%chk=000269304.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269304

0 1
O -0.707635 -1.686025 0.268231
O -1.102025 0.065783 -2.351263
O 4.833487 0.091972 -1.834115
O 2.837412 -0.635816 -2.201212
N 0.883650 -0.115660 -0.518660
N 3.660814 -0.033454 -1.513877
C -0.493770 -0.310099 -0.044170
C 1.881765 0.482539 0.220429
C -1.497867 -0.053497 -1.220602
C -2.918601 0.096509 -0.808047
C 3.226395 0.549352 -0.256291
C 1.593746 1.074291 1.492908
C -0.043956 -2.176312 1.474023
C 4.215465 1.210218 0.520348
C -3.482156 -0.730111 0.174171
C -3.705945 1.063861 -1.452755
C 2.579799 1.703684 2.221317
C 3.906351 1.777488 1.737818
C -0.548230 -3.600897 1.591244
C -4.826146 -0.576967 0.522022
C -5.046651 1.219444 -1.093419
C -5.606067 0.400093 -0.106692
H -0.727119 0.337895 0.837467
H 1.107794 -0.539929 -1.447942
H 0.575126 1.036753 1.876721
H 1.047416 -2.124405 1.313976
H -0.336847 -1.541430 2.326172
H 5.238587 1.254092 0.122420
H -2.869644 -1.503997 0.650309
H -3.267412 1.684847 -2.237185
H 2.341719 2.155567 3.187426
H 4.669079 2.281071 2.327043
H -0.003107 -4.156327 2.363245
H -1.617779 -3.639660 1.831065
H -0.420484 -4.138694 0.638277
H -5.268102 -1.221910 1.280082
H -5.657901 1.973271 -1.588236
H -6.653963 0.519861 0.169051


%chk=000269304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269304

0 1
O -0.819160 -1.713792 0.349805
O -1.047875 0.197095 -2.292341
O 4.651028 0.724195 -2.141302
O 2.532987 -0.047699 -2.444977
N 0.840212 -0.077580 -0.425982
N 3.472648 0.453773 -1.683934
C -0.510429 -0.302778 0.031710
C 1.890410 0.435606 0.315161
C -1.502955 0.027662 -1.128127
C -2.954912 0.152712 -0.812463
C 3.182430 0.713207 -0.272256
C 1.761727 0.730198 1.714785
C -0.040303 -2.272156 1.479157
C 4.246390 1.257098 0.494996
C -3.495888 -0.173468 0.461312
C -3.819725 0.633462 -1.835412
C 2.817509 1.272671 2.456918
C 4.075523 1.543710 1.853452
C -0.459813 -3.733248 1.627629
C -4.875288 -0.013380 0.706399
C -5.195897 0.793743 -1.586986
C -5.726974 0.472639 -0.313636
H -0.731226 0.331081 0.916174
H 1.022293 -0.212369 -1.437768
H 0.815358 0.526069 2.221218
H 1.042567 -2.186499 1.262199
H -0.262546 -1.692293 2.403145
H 5.194275 1.441098 -0.017260
H -2.848155 -0.590431 1.237765
H -3.385462 0.874113 -2.811418
H 2.665969 1.484138 3.521257
H 4.897254 1.964485 2.439447
H 0.093049 -4.206330 2.459543
H -1.541088 -3.812795 1.833777
H -0.242941 -4.290146 0.700448
H -5.290255 -0.274164 1.685934
H -5.855334 1.167055 -2.377673
H -6.798206 0.596720 -0.119399


