%chk=000255465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255465

0 1
O -7.458475 -0.743006 0.368977
O -6.380918 0.994565 1.323883
N 4.348457 -0.119302 -0.019424
N 3.112859 -0.255925 -0.495762
N 2.283861 0.697184 -0.295506
C 4.891097 1.101459 0.642043
C 5.318312 -1.144525 -0.508371
C 5.297821 2.176976 -0.376918
C 5.758899 -2.073929 0.634097
C 5.919656 3.390677 0.325443
C 4.644106 -3.037394 1.062061
C -3.252653 0.188721 -1.731304
C -4.124190 0.204760 -0.467214
C -1.795090 0.286160 -1.369962
C 6.328849 4.468347 -0.675699
C 5.104453 -3.973953 2.175667
C -5.609388 0.060741 -0.816532
C 0.921782 0.472744 -0.691915
C -1.201217 1.542899 -1.164181
C -1.020848 -0.874011 -1.227783
C 0.146068 1.643472 -0.827238
C 0.330948 -0.788171 -0.892114
C -6.462752 0.205602 0.411955
C -8.421994 -0.753004 1.478994
C -9.363193 -1.887216 1.135463
H 5.754633 0.799982 1.271874
H 4.111470 1.505720 1.331987
H 6.201221 -0.626586 -0.945145
H 4.859094 -1.742006 -1.330963
H 4.404630 2.492328 -0.956436
H 6.005324 1.762613 -1.118627
H 6.646877 -2.647773 0.302811
H 6.093605 -1.480184 1.507114
H 6.801227 3.077616 0.918164
H 5.197630 3.813807 1.052644
H 4.298476 -3.627871 0.191144
H 3.760012 -2.456571 1.397479
H -3.537272 1.024866 -2.402355
H -3.445862 -0.733108 -2.316635
H -3.957832 1.146512 0.098439
H -3.812167 -0.610488 0.216345
H 7.073055 4.098109 -1.389632
H 6.764090 5.336191 -0.167303
H 5.469590 4.826494 -1.255443
H 5.954777 -4.590521 1.864088
H 4.298846 -4.654905 2.474707
H 5.409500 -3.419704 3.070669
H -5.917304 0.837481 -1.550392
H -5.806939 -0.914308 -1.313014
H -1.798940 2.447652 -1.265124
H -1.473770 -1.852548 -1.377847
H 0.607515 2.617260 -0.663355
H 0.926122 -1.693673 -0.784255
H -8.911446 0.235562 1.506152
H -7.854857 -0.915754 2.411649
H -10.140063 -2.004058 1.900217
H -8.825257 -2.841492 1.049191
H -9.859332 -1.718109 0.169891


%chk=000255465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255465

0 1
O -7.573008 -0.898553 0.283034
O -6.199838 0.343762 1.697510
N 4.470944 -0.199856 -0.256045
N 3.163811 -0.317409 -0.624819
N 2.430370 0.743378 -0.345269
C 5.017405 1.008006 0.399516
C 5.330956 -1.353721 -0.571366
C 5.405234 2.124393 -0.600764
C 5.718706 -2.201004 0.666332
C 5.989880 3.359413 0.121205
C 4.514439 -2.879865 1.355442
C -3.234201 0.484693 -1.618573
C -4.070533 0.120820 -0.361382
C -1.741696 0.532627 -1.329832
C 6.390826 4.484343 -0.857098
C 4.931359 -3.707072 2.590490
C -5.579810 0.040808 -0.681546
C 1.052196 0.591205 -0.701432
C -1.143714 1.692337 -0.772355
C -0.911269 -0.595697 -1.567017
C 0.230114 1.724326 -0.461578
C 0.462542 -0.578589 -1.261067
C -6.434931 -0.132938 0.562775
C -8.525523 -1.096748 1.420510
C -9.670073 -1.954859 0.891518
H 5.900357 0.697618 0.989225
H 4.244018 1.391454 1.090517
H 6.246834 -0.985165 -1.075368
H 4.770468 -1.973182 -1.292807
H 4.504550 2.414749 -1.172698
H 6.145716 1.733344 -1.328095
H 6.442588 -2.973343 0.334258
H 6.257645 -1.567809 1.401038
H 6.873596 3.055090 0.719693
H 5.241586 3.745794 0.842643
H 3.996781 -3.532772 0.624111
H 3.779293 -2.107482 1.652213
H -3.580096 1.467412 -1.998241
H -3.441688 -0.257092 -2.415314
H -3.904298 0.871331 0.432844
H -3.720600 -0.847305 0.045186
H 7.162511 4.136106 -1.569291
H 6.797291 5.360871 -0.319933
H 5.518945 4.823151 -1.447152
H 5.645507 -4.506163 2.314740
H 4.056452 -4.185819 3.066763
H 5.420397 -3.067964 3.350012
H -5.900949 0.984161 -1.171116
H -5.805564 -0.774188 -1.391418
H -1.761301 2.579379 -0.582870
H -1.354723 -1.501071 -2.001754
H 0.694941 2.618702 -0.032877
H 1.091896 -1.453734 -1.449574
H -8.863675 -0.103439 1.767716
H -7.978930 -1.580805 2.250000
H -10.408001 -2.132849 1.695090
H -9.298953 -2.932074 0.538089
H -10.183681 -1.454299 0.052880


