%chk=000211569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211569

0 1
O -0.487620 0.381956 0.779646
O -3.186079 0.745690 0.688242
N 2.643336 0.951192 -0.670664
C 1.703814 1.376925 0.414315
C 2.926976 2.079002 -1.620224
C 3.914887 0.396605 -0.094841
C 0.956964 0.135679 0.941961
C 1.715066 2.297340 -2.542509
C 4.558556 -0.547954 -1.125983
C 1.061233 -0.047386 2.447781
C 1.966334 3.438308 -3.523010
C 5.820885 -1.198021 -0.568956
C -1.083180 0.103783 -0.418773
C -2.498329 0.229067 -0.416787
C -0.431955 -0.279090 -1.596853
C -3.243022 -0.028341 -1.565776
C -1.186840 -0.532140 -2.747131
C -2.578156 -0.408923 -2.738302
C -3.288562 -0.045797 1.826968
C -2.940378 -1.399597 1.893853
C -3.835778 0.647599 2.922639
C -3.150364 -2.073567 3.100442
C -4.034261 -0.052766 4.109831
C -3.693910 -1.409944 4.203983
H 0.947682 2.086121 -0.003623
H 2.200427 1.927877 1.238813
H 3.810697 1.803524 -2.238450
H 3.190771 3.023750 -1.099564
H 3.678918 -0.176799 0.827310
H 4.634209 1.186707 0.207262
H 1.226761 -0.789992 0.387735
H 1.492758 1.360240 -3.091654
H 0.806334 2.504784 -1.940611
H 3.824695 -1.323692 -1.424055
H 4.793708 0.006770 -2.056008
H 0.665033 0.825206 2.986891
H 2.095069 -0.210126 2.766452
H 0.458647 -0.905013 2.780561
H 2.148690 4.387343 -3.006287
H 2.831420 3.240319 -4.165756
H 1.100501 3.587586 -4.179447
H 6.576115 -0.453024 -0.294146
H 5.609853 -1.798150 0.323525
H 6.277340 -1.866696 -1.308482
H 0.657544 -0.361910 -1.625849
H -4.327053 0.077276 -1.537789
H -0.675300 -0.827913 -3.663060
H -3.151441 -0.607829 -3.640708
H -2.516125 -1.910617 1.034693
H -4.087998 1.699903 2.824638
H -2.888521 -3.128461 3.176273
H -4.457327 0.460106 4.973130
H -3.854823 -1.944411 5.135855


%chk=000211569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211569

0 1
O -0.642002 0.561043 0.780106
O -3.403932 0.475714 0.609976
N 2.540917 1.036479 -0.731334
C 1.647331 1.521957 0.355790
C 2.977836 2.152195 -1.621293
C 3.695589 0.256229 -0.198648
C 0.819106 0.388986 1.031027
C 1.910481 2.584416 -2.649510
C 4.293403 -0.723713 -1.230268
C 0.938129 0.383098 2.557828
C 2.389489 3.779067 -3.502077
C 5.481878 -1.522331 -0.651642
C -1.184174 0.120594 -0.431532
C -2.607534 0.040797 -0.481163
C -0.431095 -0.226724 -1.579274
C -3.260254 -0.360242 -1.660504
C -1.096338 -0.641771 -2.756731
C -2.506419 -0.706997 -2.806603
C -3.355192 -0.217732 1.843727
C -2.816889 -1.516932 1.988717
C -3.944240 0.452236 2.939493
C -2.866137 -2.141266 3.255598
C -3.987955 -0.185391 4.197116
C -3.447580 -1.483601 4.364501
H 0.934226 2.249237 -0.069301
H 2.230043 2.066289 1.139876
H 3.875526 1.818146 -2.173776
H 3.293027 3.042164 -1.017839
H 3.345804 -0.332201 0.671394
H 4.500890 0.933305 0.186764
H 1.121304 -0.590709 0.607986
H 1.673492 1.720469 -3.298745
H 0.967260 2.853775 -2.136300
H 3.492728 -1.411635 -1.562680
H 4.626093 -0.171666 -2.130721
H 0.606609 1.351267 2.973315
H 1.988902 0.217052 2.859078
H 0.308416 -0.410197 2.993921
H 2.600319 4.662737 -2.870214
H 3.316372 3.532581 -4.054347
H 1.623579 4.070107 -4.243060
H 6.300569 -0.849480 -0.333057
H 5.173908 -2.116411 0.229644
H 5.893954 -2.222222 -1.400646
H 0.662189 -0.122515 -1.563416
H -4.354229 -0.395430 -1.660263
H -0.503132 -0.901688 -3.640730
H -3.017945 -1.020237 -3.722476
H -2.374693 -2.030732 1.129047
H -4.351994 1.456282 2.788675
H -2.452401 -3.149736 3.371692
H -4.443640 0.333488 5.048052
H -3.483394 -1.975651 5.342324


