%chk=000196863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196863

0 1
O 0.297969 0.745407 0.441149
O -0.527424 -3.377863 1.511759
O -5.774704 -0.470052 -1.187717
O 0.558702 -3.947838 -0.368870
O -4.721564 1.239084 -2.185548
N -2.596019 -0.846824 -1.626899
N 0.424208 -1.084461 -0.911704
N 1.403825 1.032731 -2.686487
N -1.771923 0.608188 2.474372
N -3.537615 0.171740 3.829488
C -0.673455 -1.799648 -0.239077
C -1.873197 -2.056817 -1.193263
C -3.489494 -0.242458 -0.608415
C 1.984911 0.791703 -1.336681
C -2.884154 0.914487 0.218258
C 2.542702 2.047073 -0.635004
C 0.830030 0.184407 -0.509287
C -2.925196 0.631431 1.671473
C 3.562666 1.678849 0.408310
C -0.118990 -3.147998 0.226451
C -4.663760 0.296747 -1.435315
C 2.432265 1.080186 -3.760744
C 3.144632 1.307168 1.695312
C 4.930785 1.700851 0.100540
C -4.000784 0.361481 2.528459
C -2.193783 0.325423 3.786042
C 4.088748 0.964617 2.665544
C 5.871452 1.357083 1.076019
C 5.453549 0.989011 2.358438
H -1.022367 -1.209188 0.661588
H -1.520694 -2.571241 -2.121508
H -2.584834 -2.763201 -0.703011
H -3.884024 -1.043045 0.082379
H 2.808041 0.027642 -1.415402
H -1.959661 -0.151557 -2.034669
H -3.423181 1.870805 0.016202
H -1.839091 1.127571 -0.111461
H 1.713177 2.624416 -0.166451
H 2.987197 2.732209 -1.384791
H 0.785800 -1.506378 -1.770998
H 0.863910 1.907866 -2.688979
H -0.827717 0.775428 2.144852
H 2.947684 0.107520 -3.831049
H 3.195318 1.864091 -3.640040
H 1.919336 1.242462 -4.725395
H 2.078766 1.285521 1.930998
H 5.265215 1.988080 -0.893536
H -5.047950 0.296690 2.292800
H -1.520454 0.246491 4.624499
H 3.761457 0.678822 3.664228
H 6.933323 1.377508 0.835315
H -0.209619 -4.250696 1.876401
H 6.187790 0.723169 3.116368
H -6.570903 -0.182595 -1.711045


%chk=000196863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196863

0 1
O 0.515780 -0.054581 0.731031
O -1.503894 -4.527768 -0.645702
O -5.977775 0.554410 -1.048373
O 0.240634 -4.004073 -2.091468
O -4.199650 0.731031 -2.534984
N -2.410609 -0.350672 -0.581232
N 0.298329 -1.389531 -1.181482
N 2.168768 -0.121768 -2.544276
N -1.799367 0.360754 2.366608
N -2.756450 0.413423 4.422846
C -0.799343 -2.230455 -0.705155
C -2.209743 -1.695436 -1.131649
C -3.758144 0.052574 -0.181138
C 2.177754 0.173130 -1.088458
C -3.689614 1.231602 0.850875
C 2.379363 1.688088 -0.708976
C 0.907011 -0.423571 -0.425594
C -3.107674 0.827848 2.174886
C 3.448850 1.939049 0.348698
C -0.591887 -3.648502 -1.230113
C -4.623419 0.469217 -1.386445
C 3.503636 -0.189549 -3.181949
C 3.260341 1.504852 1.688012
C 4.657625 2.600136 0.011136
C -3.675190 0.854081 3.458407
C -1.635790 0.124996 3.722830
C 4.258837 1.728729 2.661691
C 5.658063 2.824971 0.985004
C 5.461716 2.388626 2.315038
H -0.784960 -2.238002 0.400493
H -2.296466 -1.737546 -2.240560
H -2.965804 -2.379127 -0.707706
H -4.260790 -0.794599 0.319176
H 3.025489 -0.400144 -0.661715
H -1.940166 0.376962 -1.132284
H -4.712319 1.608794 1.024682
H -3.110555 2.056478 0.386035
H 1.411094 2.093874 -0.361370
H 2.654578 2.228447 -1.635010
H 0.782427 -1.590909 -2.076042
H 1.540450 0.520846 -3.049217
H -1.087227 0.187995 1.635417
H 4.078481 -1.019766 -2.735456
H 4.106128 0.740409 -3.073424
H 3.383734 -0.402533 -4.258173
H 2.323905 0.999752 1.951947
H 4.815007 2.946810 -1.018659
H -4.679789 1.165960 3.739406
H -0.708500 -0.248246 4.150574
H 4.096733 1.393946 3.692738
H 6.584474 3.341010 0.707595
H -1.370252 -5.444990 -1.008880
H 6.234038 2.563600 3.072551
H -6.506970 0.851465 -1.838292


