%chk=000187029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187029

0 1
O 0.926357 -0.212679 2.115621
O -1.487275 1.632418 1.004231
O -1.594232 -2.082271 0.192755
O -3.243705 0.897562 -0.215529
O 6.199524 -1.935861 -1.997194
O -2.962157 -1.853338 1.975723
N 2.733694 -0.217032 0.633383
N 3.885766 1.356387 -0.988081
N 4.004926 -2.077399 0.196885
N 5.660268 0.278190 -2.256757
N 5.038518 2.538162 -2.723839
C -0.620951 0.597989 0.456972
C -0.396931 -0.456737 1.561483
C 0.738639 1.273524 0.233452
C 1.692890 0.641955 1.263581
C -0.431513 -1.896876 1.032331
C 3.655489 0.125398 -0.362367
C 3.009196 -1.596143 0.945609
C 4.427178 -1.033826 -0.628874
C -2.818321 1.668422 0.610454
C -3.502090 2.755324 1.379863
C 5.492963 -1.031146 -1.647134
C -2.852795 -2.035214 0.787297
C 4.921740 1.323188 -1.991185
C -4.550483 3.469442 0.515754
C -3.878967 -2.190376 -0.288398
C -5.123050 -2.923430 0.227240
C -5.322400 4.503934 1.326046
C -6.212756 -2.978315 -0.837504
H -1.084297 0.177713 -0.465928
H -1.081158 -0.316961 2.433861
H 0.643849 2.367472 0.395955
H 1.069257 1.137015 -0.812712
H 2.187524 1.365996 1.956801
H -0.451101 -2.630930 1.858510
H 0.397250 -2.126003 0.334752
H 2.456555 -2.112390 1.718877
H 3.233965 2.126985 -0.903936
H -2.762083 3.480255 1.784772
H -3.982395 2.301546 2.278177
H -4.057680 3.955848 -0.350107
H -5.250422 2.722104 0.084527
H -4.145884 -1.164727 -0.653213
H -3.450966 -2.706778 -1.174951
H -4.850635 -3.950271 0.544863
H -5.504086 -2.416479 1.138965
H -5.866596 4.046872 2.161534
H -4.663315 5.273399 1.745004
H -6.064381 5.017673 0.701332
H 5.179256 3.373255 -2.163634
H 5.739027 2.484569 -3.470205
H -6.535010 -1.975618 -1.143028
H -5.876717 -3.503702 -1.739362
H -7.099579 -3.505793 -0.465171


%chk=000187029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187029

0 1
O 0.961530 0.781485 0.221915
O -1.616539 1.788780 -1.199367
O -1.558481 -2.028820 0.347068
O -3.517436 0.776786 -0.304719
O 7.082687 -1.208230 -0.819138
O -1.998137 -1.303336 2.519610
N 2.693619 0.349522 -1.380733
N 3.664452 0.435333 0.921268
N 4.515453 -0.519298 -2.470196
N 5.947145 -0.367492 1.062842
N 4.837469 0.398715 2.977327
C -0.946577 0.455332 -1.202731
C -0.376110 0.128772 0.190352
C 0.289863 0.579308 -2.108456
C 1.418721 1.056281 -1.161907
C -0.224694 -1.386746 0.440713
C 3.700817 0.171133 -0.437274
C 3.260622 -0.082372 -2.614703
C 4.813566 -0.371756 -1.098722
C -2.938059 1.810305 -0.707252
C -3.495643 3.219392 -0.738929
C 6.037962 -0.697697 -0.335292
C -2.400131 -1.856125 1.472569
C 4.856787 0.137322 1.618557
C -5.015078 3.277024 -0.477497
C -3.786358 -2.385378 1.183443
C -4.589125 -2.720003 2.458856
C -5.535626 4.728491 -0.441047
C -6.039859 -3.128576 2.129951
H -1.674220 -0.306097 -1.529032
H -0.969349 0.578512 1.001473
H 0.105329 1.283985 -2.933210
H 0.539482 -0.408674 -2.531065
H 1.586432 2.147711 -1.216052
H 0.208585 -1.556994 1.441199
H 0.384930 -1.882009 -0.331628
H 2.711301 -0.035785 -3.551721
H 2.773647 0.684153 1.362196
H -3.235465 3.679435 -1.710960
H -2.952037 3.811783 0.025442
H -5.543626 2.704611 -1.263087
H -5.238753 2.766865 0.477488
H -4.300853 -1.589521 0.605669
H -3.708867 -3.258053 0.510061
H -4.083398 -3.536207 3.009579
H -4.581902 -1.841703 3.130087
H -5.045792 5.310344 0.362426
H -5.346882 5.250601 -1.398004
H -6.624260 4.752123 -0.255765
H 4.082037 0.895768 3.441299
H 5.688095 0.173885 3.487597
H -6.575052 -2.312584 1.608712
H -6.070026 -4.021603 1.477571
H -6.602297 -3.366399 3.050717


