%chk=000207038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207038

0 1
O 0.814111 -1.984118 2.393387
O -5.743880 -0.513718 -1.267099
N 0.487418 -0.770568 0.398438
N 2.163362 -2.314998 -1.068360
C -0.450576 0.231445 0.940490
C 0.090549 1.676566 0.772562
C -1.843626 0.069683 0.319414
C 1.818047 -2.813537 0.292060
C 1.402055 2.001357 1.486640
C 1.006219 -1.806528 1.136977
C 1.817569 -3.294190 -2.143364
C 3.575436 -1.833927 -1.165212
C -2.092571 0.368299 -1.041471
C -2.921515 -0.419650 1.102656
C 1.884581 1.254211 2.592100
C 2.149804 3.131062 1.060022
C -3.371203 0.191364 -1.616722
C -4.203355 -0.600300 0.551350
C 1.827053 -2.685101 -3.558017
C 3.918276 -0.696859 -0.186649
C -4.432665 -0.295465 -0.813176
C 3.075388 1.634726 3.252847
C 3.339150 3.513523 1.718584
C 3.807519 2.764572 2.823456
C -6.029674 -0.225997 -2.673728
H -0.530609 -0.003751 2.017817
H -0.700368 2.362909 1.139087
H 0.203344 1.903907 -0.306944
H 0.778468 -0.783802 -0.592686
H 1.181444 -3.715497 0.207874
H 2.705877 -3.115220 0.884554
H 2.498036 -4.181876 -2.115557
H 0.797267 -3.663184 -1.929072
H 3.734934 -1.471643 -2.196250
H 4.283790 -2.686799 -1.006706
H -1.282155 0.746645 -1.677434
H -2.749514 -0.670293 2.156051
H 1.351468 0.361649 2.938304
H 1.793049 3.718323 0.203358
H -3.526605 0.432624 -2.672678
H -5.036653 -0.977286 1.151974
H 1.404052 -3.408018 -4.279302
H 2.844159 -2.431132 -3.904159
H 1.211555 -1.767705 -3.584003
H 4.968674 -0.386893 -0.337025
H 3.809927 -1.000677 0.868980
H 3.273149 0.183990 -0.345789
H 3.430887 1.041898 4.103494
H 3.897551 4.390894 1.371844
H 4.729554 3.056754 3.338823
H -5.860741 0.842971 -2.910082
H -5.415776 -0.855770 -3.347301
H -7.093839 -0.470270 -2.806453


%chk=000207038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207038

0 1
O 0.773829 -1.997667 2.353303
O -5.365801 -1.022399 -1.780338
N 0.640254 -0.648663 0.441610
N 2.307581 -2.199083 -1.007153
C -0.418647 0.253526 0.934447
C 0.053351 1.726655 0.906512
C -1.735283 0.003049 0.181471
C 2.284234 -2.447629 0.457233
C 1.313660 2.036209 1.712356
C 1.149893 -1.689133 1.175971
C 1.380603 -3.124990 -1.726766
C 3.684900 -2.164940 -1.579132
C -2.352421 0.945569 -0.670837
C -2.367541 -1.262235 0.346136
C 1.680852 1.310940 2.875951
C 2.128329 3.129588 1.317472
C -3.560744 0.651023 -1.348921
C -3.565474 -1.573102 -0.315454
C 0.969448 -2.620721 -3.121896
C 4.447621 -0.876340 -1.219346
C -4.168420 -0.613810 -1.170121
C 2.822809 1.678937 3.623367
C 3.269146 3.500972 2.063102
C 3.620696 2.775616 3.224833
C -6.042413 -0.058930 -2.650250
H -0.577995 -0.055625 1.985801
H -0.781835 2.349560 1.288806
H 0.218891 2.044034 -0.142742
H 1.040834 -0.563302 -0.506212
H 2.183024 -3.524253 0.717706
H 3.230516 -2.099983 0.910722
H 1.822031 -4.149145 -1.804572
H 0.470005 -3.218616 -1.105653
H 3.592369 -2.225747 -2.677946
H 4.274380 -3.059301 -1.259896
H -1.905021 1.934033 -0.819482
H -1.909756 -2.003352 1.012626
H 1.094779 0.444091 3.202064
H 1.864254 3.697243 0.415364
H -4.010450 1.408204 -1.998444
H -4.058012 -2.541379 -0.183635
H 0.239009 -3.316702 -3.573449
H 1.827666 -2.545455 -3.813466
H 0.497463 -1.624916 -3.048217
H 5.455298 -0.888198 -1.674540
H 4.576330 -0.757785 -0.128395
H 3.903574 0.009363 -1.591674
H 3.089507 1.103160 4.516994
H 3.881266 4.350324 1.738168
H 4.504657 3.058623 3.807563
H -6.327570 0.855475 -2.093893
H -5.409856 0.217152 -3.516719
H -6.947419 -0.575346 -3.002523


