%chk=000206574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206574

0 1
O 1.806133 0.971726 -0.666874
O -3.495665 -0.542111 -0.753061
O 3.674216 0.192450 1.580942
O -4.938384 -0.046575 0.995913
O 1.055340 -2.577186 -1.971457
N 2.170864 -1.840867 -0.137226
C 0.456723 0.657832 -0.579140
C 0.114404 -0.688804 -0.830070
C -1.230341 -1.042768 -0.881499
C -2.211074 -0.054332 -0.648328
C 2.355505 1.752983 0.436973
C -0.517408 1.634288 -0.350334
C -1.868468 1.275731 -0.379522
C 3.784491 1.235406 0.578375
C 1.141535 -1.757719 -1.071298
C -4.623927 0.260112 -0.342586
C 4.920550 -0.471196 1.862015
C -4.124979 0.577913 2.010128
H -1.537202 -2.069182 -1.105540
H 1.771160 1.592602 1.361660
H 2.318296 2.810344 0.125097
H -0.229988 2.667265 -0.169825
H -2.633001 2.030335 -0.212142
H 4.478304 2.014168 0.937422
H 4.153403 0.799061 -0.370195
H -4.457886 1.329877 -0.522891
H -5.453722 -0.203371 -0.914129
H 2.915556 -2.501314 -0.301050
H 2.397234 -1.072089 0.491349
H 5.311058 -0.961271 0.965572
H 4.630273 -1.212910 2.618057
H 5.646654 0.234617 2.276091
H -4.585225 0.211232 2.937240
H -4.191689 1.666112 1.945067
H -3.091042 0.226642 1.931667


%chk=000206574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206574

0 1
O 1.880243 0.430562 -0.017342
O -3.645589 -0.509289 -0.696102
O 4.285741 0.199226 1.420359
O -5.533773 0.433291 0.496870
O 0.380034 -3.250530 -1.462332
N 2.212407 -2.165770 -0.544247
C 0.484514 0.253349 -0.116183
C 0.020470 -1.010050 -0.596361
C -1.367209 -1.185775 -0.779037
C -2.292900 -0.165434 -0.470780
C 2.410586 1.560642 0.751628
C -0.437638 1.272353 0.206334
C -1.825839 1.069249 0.038838
C 3.926382 1.432691 0.721378
C 0.885404 -2.218931 -0.913331
C -4.705137 0.510053 -0.672365
C 5.733376 -0.011842 1.467026
C -4.869198 0.810604 1.751723
H -1.714449 -2.149709 -1.163385
H 2.031622 1.517484 1.791740
H 2.111534 2.522094 0.286129
H -0.091724 2.236165 0.591495
H -2.509877 1.876589 0.314685
H 4.375926 2.317932 1.225608
H 4.285110 1.404138 -0.330636
H -4.264613 1.521739 -0.805076
H -5.374827 0.249895 -1.504619
H 2.777429 -2.995318 -0.720673
H 2.612743 -1.323793 -0.117098
H 6.166528 -0.091442 0.447542
H 5.887470 -0.959186 2.005937
H 6.245952 0.809003 2.012133
H -5.635676 0.713893 2.534914
H -4.509895 1.860821 1.716987
H -4.023430 0.134297 1.974642


