%chk=000258886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258886

0 1
O 4.981502 0.795349 -0.409345
O -4.981762 0.019619 0.894112
O 5.561889 -1.197519 -1.302818
O -5.562174 -1.715977 -0.431593
N 1.423444 -0.227882 -0.451369
N -1.423719 -0.505343 0.014746
N 11.022066 0.937575 1.431358
N -11.022283 1.705553 0.141388
C 0.730675 0.561145 0.619657
C 0.732588 -1.545208 -0.640080
C -0.730964 0.812312 0.197672
C -0.732856 -1.299286 -1.053243
C 2.874093 -0.410562 -0.137324
C -2.874362 -0.316395 -0.295577
C 3.630823 0.654689 -0.943291
C -3.631098 -0.516824 1.025089
C 5.891121 -0.212388 -0.676245
C -5.891390 -0.695480 0.135570
C 7.205343 0.106826 -0.102563
C -7.205596 -0.038974 0.142600
C 8.254988 -0.816573 -0.279446
C -8.255248 -0.634727 -0.584735
C 7.436350 1.299838 0.606897
C -7.436580 1.153503 0.852967
C 9.513386 -0.563442 0.246402
C -9.513632 -0.051776 -0.612984
C 8.688114 1.571843 1.141321
C -8.688330 1.752990 0.837219
C 9.741232 0.640871 0.959103
C -9.741455 1.148939 0.105771
H 0.751308 0.054805 1.609755
H 1.254395 1.533729 0.732471
H 1.252831 -2.097586 -1.452553
H 0.761813 -2.182156 0.270830
H -1.254695 1.375186 0.998801
H -0.751600 1.441212 -0.719474
H -0.762082 -0.802251 -2.047434
H -1.253094 -2.276832 -1.151433
H 3.238108 -1.418649 -0.443391
H 3.119563 -0.317362 0.941468
H -3.238382 -1.066147 -1.035704
H -3.119818 0.676281 -0.728102
H 3.689216 0.403257 -2.015590
H 3.233832 1.675167 -0.803336
H -3.689525 -1.579247 1.315422
H -3.234091 0.092808 1.855329
H 8.062799 -1.739526 -0.836953
H -8.063077 -1.564865 -1.130176
H 6.614500 2.011778 0.734761
H -6.614726 1.605344 1.417802
H 10.319116 -1.277028 0.101092
H -10.319368 -0.519739 -1.170944
H 8.860535 2.497078 1.682872
H -8.860735 2.670191 1.392276
H 11.138270 1.675427 2.105280
H 11.707264 0.202939 1.487012
H -11.138454 2.649772 0.468586
H -11.707467 1.404214 -0.530927


%chk=000258886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258886

0 1
O 5.084464 0.937750 -0.061118
O -5.082810 0.425349 0.854447
O 5.596540 -0.618947 -1.729456
O -5.574261 -1.790072 0.290200
N 1.436160 -0.053480 -0.246646
N -1.436119 -0.215680 0.058824
N 11.314027 0.168497 1.285181
N -11.327419 1.169348 -0.439139
C 0.726128 0.774747 0.757468
C 0.712142 -1.327455 -0.478866
C -0.713120 1.056641 0.295165
C -0.725238 -1.043138 -0.946780
C 2.877164 -0.222326 0.046374
C -2.877133 -0.028569 -0.222813
C 3.677770 0.953696 -0.547205
C -3.671741 0.018369 1.097348
C 5.966774 0.086043 -0.752668
C -5.956368 -0.598671 0.441750
C 7.337087 0.136038 -0.198620
C -7.332804 -0.103112 0.225296
C 8.342751 -0.669091 -0.800676
C -8.329424 -1.028385 -0.190375
C 7.688465 0.953286 0.910535
C -7.699200 1.257733 0.414566
C 9.657750 -0.663078 -0.316084
C -9.650337 -0.615563 -0.411390
C 9.001509 0.967298 1.403983
C -9.018274 1.682127 0.196251
C 10.011331 0.157910 0.798646
C -10.018939 0.751814 -0.221306
H 0.692053 0.263883 1.753051
H 1.262371 1.733292 0.885518
H 1.244930 -1.900965 -1.259151
H 0.666834 -1.953040 0.447680
H -1.240100 1.636356 1.075696
H -0.677157 1.681695 -0.632964
H -0.682084 -0.537052 -1.943680
H -1.267339 -1.998926 -1.066253
H 3.236028 -1.157025 -0.418672
H 3.084342 -0.292274 1.141274
H -3.244995 -0.882011 -0.818653
H -3.080093 0.900277 -0.807881
H 3.664812 0.901781 -1.648710
H 3.287409 1.925379 -0.204605
H -3.649181 -0.970018 1.585981
H -3.283596 0.792276 1.778897
H 8.064292 -1.295842 -1.654639
H -8.038984 -2.074714 -0.333279
H 6.917431 1.574064 1.375450
H -6.935579 1.972071 0.734957
H 10.422045 -1.289725 -0.791520
H -10.407474 -1.341457 -0.731781
H 9.259007 1.602626 2.260233
H -9.287859 2.734756 0.345716
H 11.570806 0.750589 2.077403
H 12.034827 -0.406227 0.857870
H -11.594804 2.140466 -0.305424
H -12.042220 0.511184 -0.736406


