%chk=000257318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257318

0 1
O 0.588749 -0.469548 2.536165
O 0.875549 0.934160 -2.062440
O 2.423060 3.881563 0.363755
O 1.971949 -3.296693 -0.765448
N 1.259649 -1.859472 0.890024
N 1.428256 -1.146826 -1.397920
C 0.611672 0.527279 0.320555
C -0.882571 0.931232 0.349316
C 1.534334 1.675532 0.786099
C -1.827172 -0.221759 -0.010769
C 0.800555 -0.595881 1.352267
C 0.967367 0.172353 -1.127336
C -3.288321 0.249014 -0.004352
C 1.373146 2.982429 -0.002675
C -4.245909 -0.897900 -0.357899
C 1.586056 -2.193611 -0.451958
C -5.700707 -0.435292 -0.354879
H -1.042254 1.777323 -0.352815
H -1.129149 1.319849 1.360360
H 2.598677 1.359574 0.723198
H 1.351901 1.869529 1.866373
H -1.576101 -0.631717 -1.009040
H -1.707315 -1.059366 0.704974
H -3.550824 0.661019 0.989618
H -3.423016 1.081780 -0.722036
H 1.535281 2.843459 -1.094347
H 0.393885 3.460373 0.167552
H -3.988533 -1.312387 -1.352629
H -4.118337 -1.731983 0.360118
H 1.378250 -2.610168 1.591959
H 1.671391 -1.373316 -2.378087
H -6.003382 -0.054635 0.627403
H -6.377923 -1.259316 -0.608182
H -5.873548 0.364620 -1.084081
H 2.312135 4.192779 1.284058


%chk=000257318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257318

0 1
O 0.369720 -0.601514 2.482728
O 0.671921 0.779272 -2.169141
O 2.444756 3.876431 0.445181
O 2.669614 -3.131788 -0.662888
N 1.520806 -1.814627 0.890608
N 1.703809 -1.118960 -1.359053
C 0.573114 0.437239 0.265157
C -0.921394 0.888156 0.299468
C 1.532011 1.603910 0.742877
C -1.929820 -0.234948 -0.029464
C 0.784363 -0.687160 1.297974
C 0.958698 0.061906 -1.175518
C -3.389174 0.272646 -0.008095
C 1.402084 2.944061 -0.012806
C -4.420376 -0.832932 -0.329717
C 2.016644 -2.094023 -0.395359
C -5.876199 -0.319679 -0.309124
H -1.045813 1.708292 -0.429856
H -1.127264 1.287889 1.310153
H 2.587957 1.277557 0.665279
H 1.315043 1.760913 1.818359
H -1.711597 -0.654059 -1.033562
H -1.825821 -1.062839 0.700840
H -3.613653 0.702306 0.990459
H -3.500916 1.100623 -0.738746
H 1.589027 2.820976 -1.089349
H 0.394469 3.385377 0.120610
H -4.193411 -1.264010 -1.326187
H -4.307647 -1.659753 0.400838
H 1.710471 -2.527620 1.603028
H 2.017980 -1.323820 -2.313755
H -6.139527 0.087261 0.685473
H -6.593036 -1.127768 -0.543686
H -6.022736 0.487717 -1.051284
H 2.282696 4.106963 1.395458


