%chk=000186899.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186899

0 1
O 0.881147 0.733750 1.662474
O -0.818921 1.863817 0.567135
O 1.858677 -1.036223 -1.403369
O -4.991997 -1.010931 -2.263786
O 1.061400 2.957810 1.998218
N -3.524773 -0.659347 -0.568907
C -0.606660 -0.489223 0.219806
C -1.131648 -0.614737 -1.233701
C -1.801490 -0.489698 1.210137
C 0.159767 0.876708 0.373183
C 0.393228 -1.593724 0.524575
C -2.451550 -1.390132 -1.300243
C -3.075242 0.124614 0.613096
C 1.166852 1.253598 -0.681916
C 1.565585 -1.748080 -0.232547
C 0.211388 -2.512462 1.572534
C 1.899113 0.345217 -1.452006
C -4.757180 -0.452294 -1.200591
C 1.381477 2.627045 -0.944160
C 2.521525 -2.744812 0.016865
C 1.142400 -3.517617 1.840574
C 2.772502 0.762710 -2.484693
C 2.300465 -3.636854 1.063672
C 1.324107 1.825723 2.354590
C 2.241325 3.058570 -1.943549
C -5.766517 0.410948 -0.496098
C 2.932861 2.117323 -2.727959
C 2.106408 1.388452 3.540177
H -0.383940 -1.108109 -1.887276
H -1.278436 0.398172 -1.666229
H -1.522456 0.072641 2.125430
H -2.025807 -1.526887 1.538170
H -2.765604 -1.542252 -2.362126
H -2.342777 -2.401523 -0.849493
H -3.880763 0.126024 1.379370
H -2.881937 1.186297 0.321867
H -0.687039 -2.450038 2.193790
H -0.419564 2.774462 0.722763
H 0.851771 3.365222 -0.326696
H 3.407459 -2.807977 -0.613307
H 0.964414 -4.214087 2.658540
H 3.300511 0.006462 -3.064541
H 3.026210 -4.421222 1.275291
H 2.384104 4.122654 -2.122957
H -6.695642 0.447510 -1.088874
H -5.418632 1.444207 -0.375257
H -6.031673 0.018419 0.493492
H 3.600701 2.456816 -3.520845
H 3.146069 1.749726 3.475003
H 2.140980 0.290396 3.638768
H 1.678703 1.800734 4.468005


%chk=000186899-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186899

0 1
O 1.064894 0.667712 1.746749
O -0.762835 1.963842 0.802451
O 2.028010 -0.968047 -1.189603
O -5.012939 -1.268356 -2.346492
O 1.210229 2.952746 2.219212
N -3.495967 -0.581860 -0.724194
C -0.608767 -0.413993 0.251887
C -1.078933 -0.491794 -1.252451
C -1.892013 -0.435473 1.146287
C 0.172180 0.942165 0.477821
C 0.349585 -1.579163 0.592065
C -2.386826 -1.284993 -1.412941
C -3.125159 0.205948 0.478264
C 1.130949 1.345332 -0.646028
C 1.571856 -1.764484 -0.108028
C 0.092611 -2.507128 1.636692
C 1.955444 0.427071 -1.353271
C -4.764698 -0.603411 -1.288311
C 1.185330 2.707411 -1.053306
C 2.436356 -2.851017 0.150575
C 0.950448 -3.589210 1.923383
C 2.808894 0.867800 -2.395316
C 2.128042 -3.774683 1.165796
C 1.551418 1.754813 2.451033
C 2.030150 3.153501 -2.084984
C -5.852237 0.202357 -0.575996
C 2.853469 2.222604 -2.761520
C 2.540463 1.336336 3.511375
H -0.302713 -0.955043 -1.883528
H -1.241713 0.532471 -1.637119
H -1.695207 0.058715 2.111966
H -2.168023 -1.483884 1.350916
H -2.668089 -1.379801 -2.475683
H -2.272215 -2.315826 -1.018590
H -3.963317 0.192781 1.197344
H -2.914555 1.259859 0.221938
H -0.798284 -2.387001 2.256412
H -0.240023 2.720375 1.222302
H 0.529781 3.430240 -0.561662
H 3.346158 -2.937957 -0.450754
H 0.697130 -4.282198 2.732604
H 3.419843 0.115427 -2.902421
H 2.800543 -4.614855 1.367675
H 2.040607 4.211949 -2.362894
H -6.750814 0.182331 -1.209860
H -5.551964 1.251781 -0.404159
H -6.104628 -0.242015 0.405364
H 3.517314 2.547855 -3.569408
H 3.541975 1.239876 3.052678
H 2.270487 0.355024 3.931947
H 2.588654 2.101669 4.300184


