%chk=000271596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271596

0 1
O -0.536272 2.698444 0.048758
O -0.536362 -2.698485 -0.048804
N 4.404325 1.430196 0.084630
N 4.404241 -1.430404 -0.085316
C 0.737977 0.700740 0.014359
C 0.737956 -0.700821 -0.014411
C -1.811546 0.702913 0.014598
C -1.811569 -0.702909 -0.014771
C -0.534201 1.483339 0.029153
C -0.534254 -1.483385 -0.028941
C 1.950429 1.399641 0.019562
C 1.950380 -1.399759 -0.019829
C 3.175335 0.715354 -0.000269
C 3.175318 -0.715504 -0.000206
C -3.025324 1.398878 0.029312
C -3.025371 -1.398826 -0.029819
C -4.237842 0.697866 0.014464
C -4.237865 -0.697767 -0.015271
H 1.924121 2.494210 0.038786
H 1.924039 -2.494327 -0.039021
H -3.014148 2.493263 0.052397
H -3.014231 -2.493211 -0.052882
H -5.180098 1.246201 0.026132
H -5.180139 -1.246065 -0.027183
H 4.312911 2.431151 -0.053548
H 5.140999 1.062890 -0.510869
H 5.141206 -1.062906 0.509701
H 4.312886 -2.431318 0.053186


%chk=000271596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271596

0 1
O -0.550637 2.764099 0.083422
O -0.550712 -2.764125 -0.083862
N 4.415790 1.390557 -0.038169
N 4.415751 -1.390713 0.037749
C 0.722498 0.713905 0.022827
C 0.722480 -0.713965 -0.023246
C -1.827108 0.712697 0.020502
C -1.827127 -0.712688 -0.020933
C -0.544539 1.488380 0.044806
C -0.544580 -1.488409 -0.045222
C 1.954174 1.409452 0.018917
C 1.954137 -1.409545 -0.019342
C 3.183946 0.721675 -0.011830
C 3.183929 -0.721799 0.011404
C -3.057426 1.413455 0.040907
C -3.057466 -1.413411 -0.041353
C -4.278369 0.708642 0.020540
C -4.278390 -0.708563 -0.021000
H 1.922049 2.505078 0.014568
H 1.921984 -2.505169 -0.014995
H -3.025973 2.507164 0.073227
H -3.026044 -2.507121 -0.073673
H -5.227346 1.255559 0.036924
H -5.227382 -1.255453 -0.037394
H 4.416006 2.408717 -0.016246
H 5.203659 0.948369 -0.511821
H 5.203649 -0.948518 0.511344
H 4.415948 -2.408872 0.015848


