%chk=000289696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289696

0 1
O 3.340381 -2.007462 -0.618504
O -3.337142 2.000267 -0.648238
O 4.715184 -0.732872 -1.942160
O -4.707582 0.714606 -1.965688
N 5.189567 -1.130234 0.328162
N -5.189933 1.131753 0.299399
C 5.546091 1.270283 1.025686
C -5.549575 -1.262508 1.016554
C 6.169922 -0.023335 0.480922
C -6.171109 0.026442 0.458262
C 5.112915 1.156403 2.482944
C -5.121599 -1.135994 2.474311
C 4.448125 -1.189518 -0.852281
C -4.444279 1.180617 -0.878863
C 2.467485 -2.253749 -1.762040
C -2.460167 2.236471 -1.790774
C 1.401313 -1.284959 -1.765891
C -1.394012 1.267698 -1.782215
C 0.509030 -0.466639 -1.761934
C -0.501767 0.449454 -1.767807
H 4.683096 1.568402 0.395102
H 6.283688 2.092189 0.917846
H -4.684399 -1.566330 0.391705
H -6.286994 -2.085158 0.913254
H 6.645827 0.171699 -0.510872
H 6.972893 -0.393410 1.158425
H -6.976435 0.402599 1.129592
H -6.643469 -0.177134 -0.533510
H 4.298735 0.434943 2.614449
H 5.940101 0.846281 3.131994
H 4.748489 2.120304 2.860514
H -4.307579 -0.413740 2.602402
H -5.950978 -0.819840 3.117626
H -4.758960 -2.096686 2.861655
H 4.730603 -1.438095 1.187988
H -4.733942 1.446942 1.158152
H 2.108091 -3.285710 -1.553717
H 3.064168 -2.223172 -2.703581
H -2.101511 3.270246 -1.590328
H -3.053471 2.197548 -2.734145


%chk=000289696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289696

0 1
O 3.562550 -1.926006 -0.317727
O -3.552160 1.913917 -0.345010
O 5.035142 -0.858237 -1.840232
O -5.029144 0.846755 -1.863762
N 5.454010 -0.943732 0.473706
N -5.450463 0.947274 0.449112
C 6.539969 1.323091 0.740489
C -6.550728 -1.311243 0.727594
C 6.716961 -0.185896 0.446786
C -6.717988 0.197025 0.424655
C 5.999746 1.617494 2.155811
C -6.013967 -1.600461 2.145310
C 4.732072 -1.189152 -0.665729
C -4.725592 1.182199 -0.690653
C 2.621722 -2.166819 -1.448667
C -2.608646 2.143940 -1.475976
C 1.499915 -1.228107 -1.431732
C -1.487734 1.204484 -1.447749
C 0.535149 -0.447006 -1.431157
C -0.523291 0.423054 -1.437271
H 5.866367 1.755847 -0.023046
H 7.526888 1.809947 0.608921
H -5.878965 -1.752820 -0.032502
H -7.540507 -1.792745 0.597787
H 7.155682 -0.320849 -0.556992
H 7.406640 -0.636690 1.186286
H -7.406042 0.656402 1.160380
H -7.154293 0.328738 -0.580607
H 4.990149 1.189116 2.299139
H 6.665560 1.197651 2.934393
H 5.922779 2.705350 2.332130
H -5.001904 -1.177463 2.287225
H -6.678062 -1.171804 2.920551
H -5.943934 -2.687685 2.328270
H 5.051043 -1.247099 1.360501
H -5.046838 1.253096 1.334763
H 2.274470 -3.205306 -1.311766
H 3.187768 -2.080522 -2.396571
H -2.260679 3.183353 -1.348028
H -3.172845 2.049514 -2.424236


