%chk=000228576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228576

0 1
O -5.598546 -1.951046 0.793215
O 5.597749 1.969585 0.728983
N -6.893855 -0.118948 0.266340
N 6.891998 0.123182 0.251803
C -7.448846 0.329702 -1.046648
C 7.444046 -0.362901 -1.049044
C -8.107746 -0.797968 -0.256867
C 8.104657 0.786934 -0.293388
C -5.637374 -0.784105 0.468005
C 5.635931 0.793821 0.437191
C -8.056442 1.704491 -1.091304
C 8.051631 -1.738404 -1.055669
C -4.452314 0.150012 0.389632
C 4.450753 -0.142151 0.388254
C -3.132073 -0.627482 0.375861
C 3.130480 0.634666 0.353898
C -1.925389 0.317857 0.380332
C 1.923804 -0.310106 0.387586
C -0.606507 -0.467091 0.380760
C 0.604907 0.474550 0.366776
H -6.896800 0.065958 -1.963461
H 6.889908 -0.125533 -1.971784
H -8.049783 -1.831974 -0.607374
H -9.026419 -0.621125 0.311025
H 8.045833 1.810474 -0.673242
H 9.024625 0.626435 0.277256
H -7.312524 2.464172 -1.364008
H -8.472460 2.004927 -0.117187
H -8.872494 1.747518 -1.824459
H 8.469853 -2.010816 -0.074283
H 8.866039 -1.802411 -1.789122
H 7.307154 -2.505586 -1.304834
H -4.527688 0.812527 -0.495175
H -4.489896 0.835769 1.266354
H 4.524626 -0.830399 -0.476817
H 4.489835 -0.801840 1.284692
H -3.094893 -1.307785 1.253079
H -3.096723 -1.293269 -0.508902
H 3.093812 1.274528 -0.549739
H 3.094597 1.340113 1.211081
H -1.964492 0.988229 -0.499701
H -1.966840 0.980599 1.266817
H 1.961775 -1.005967 -0.472483
H 1.966408 -0.946608 1.293048
H -0.562176 -1.125631 1.270364
H -0.569144 -1.143078 -0.495279
H 0.566729 1.125274 -0.528154
H 0.561374 1.158203 1.237271


%chk=000228576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228576

0 1
O -5.785543 -1.614539 1.471638
O 5.778854 1.660772 1.391823
N -6.937402 -0.043497 0.186520
N 6.933250 0.040187 0.172063
C -7.307438 0.176122 -1.241773
C 7.316765 -0.228072 -1.244444
C -8.083429 -0.808876 -0.345126
C 8.089611 0.780867 -0.372276
C -5.766751 -0.567694 0.762105
C 5.760077 0.591122 0.717304
C -7.878985 1.522579 -1.644588
C 7.883532 -1.590599 -1.596924
C -4.519705 0.298749 0.565445
C 4.510074 -0.274581 0.535912
C -3.210405 -0.519607 0.574403
C 3.201520 0.543939 0.552158
C -1.952842 0.376386 0.558783
C 1.943769 -0.351917 0.546268
C -0.636121 -0.432562 0.553542
C 0.627102 0.457136 0.549089
H -6.638133 -0.293847 -1.978312
H 6.658226 0.221633 -2.003046
H -7.937194 -1.886030 -0.492242
H -9.071354 -0.517127 0.027984
H 7.951648 1.853487 -0.555940
H 9.071665 0.495698 0.020868
H -7.073884 2.258328 -1.824215
H -8.532417 1.919714 -0.848893
H -8.471822 1.428045 -2.572901
H 8.526022 -1.965413 -0.781730
H 8.486548 -1.530433 -2.521533
H 7.075406 -2.326741 -1.760646
H -4.615992 0.895539 -0.362131
H -4.499269 1.029100 1.400900
H 4.598334 -0.874990 -0.390380
H 4.497311 -1.002979 1.373253
H -3.207703 -1.167805 1.470457
H -3.192756 -1.200686 -0.300464
H 3.178670 1.223582 -0.323602
H 3.204359 1.194295 1.446610
H -1.976571 1.041979 -0.330022
H -1.967389 1.043382 1.446362
H 1.961293 -1.018495 -0.341958
H 1.964105 -1.018002 1.434442
H -0.613973 -1.097701 1.441667
H -0.618943 -1.099649 -0.333890
H 0.604230 1.123573 -0.338697
H 0.610748 1.122930 1.436838


