%chk=000223233.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223233

0 1
O -2.974902 -0.160411 -1.146265
N -1.743014 3.520433 -0.061840
N -3.081546 -2.708241 0.016666
C 2.192562 0.244662 1.239984
C 3.194903 -0.807110 0.688177
C 3.723889 -0.701785 -0.769644
C 0.823016 0.133130 0.566939
C 2.782883 1.660713 1.144981
C 1.967637 -0.066169 2.744709
C 2.607211 -0.429662 -1.787476
C 4.805614 0.389757 -0.896405
C 4.379622 -2.064427 -1.112432
C 0.214782 -1.124574 0.451226
C 0.130220 1.260249 0.096286
C -1.051714 -1.282504 -0.127206
C -1.138949 1.149412 -0.473347
C -1.728691 -0.131953 -0.576199
C -1.872722 2.355111 -1.002831
C -1.612659 -2.671212 -0.303695
C -2.473457 3.255684 1.213929
C -2.274808 4.756907 -0.712058
C -3.321961 -2.491142 1.473810
C -3.681742 -4.000835 -0.429046
H 4.075384 -0.816337 1.361047
H 2.728701 -1.806352 0.807807
H 2.974477 1.946622 0.101173
H 3.737642 1.724404 1.677607
H 2.115558 2.411438 1.582650
H 2.891497 0.043152 3.319336
H 1.229449 0.619353 3.175011
H 1.596370 -1.082372 2.901549
H 2.145945 0.551978 -1.629222
H 1.805039 -1.171646 -1.714665
H 2.985571 -0.449998 -2.813528
H 4.374844 1.391753 -0.773022
H 5.282873 0.363089 -1.880688
H 5.590650 0.272024 -0.145022
H 3.650915 -2.879119 -1.084344
H 5.185332 -2.310167 -0.415476
H 4.811139 -2.051914 -2.117984
H 0.745672 -2.007359 0.810450
H 0.564954 2.260791 0.179216
H -1.414290 2.644726 -1.976922
H -2.934385 2.088763 -1.221149
H -1.486091 -2.964964 -1.373468
H -1.028172 -3.406192 0.292525
H -3.425922 -1.063473 -1.008992
H -2.305368 4.095984 1.904213
H -2.049124 2.352754 1.684533
H -3.556743 3.103677 1.103153
H -3.334060 4.710001 -1.003521
H -1.675921 4.975434 -1.610311
H -2.144275 5.606330 -0.023008
H -4.405620 -2.407286 1.651106
H -2.863883 -1.532587 1.775743
H -2.921706 -3.279128 2.127636
H -3.256729 -4.895222 0.049851
H -3.561631 -4.101097 -1.519837
H -4.764466 -3.984792 -0.222610


%chk=000223233-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223233

0 1
O -3.153603 -0.415584 -0.976807
N -1.698875 3.508302 -0.207357
N -3.200225 -2.796257 0.040640
C 2.173021 0.220266 1.260679
C 3.236275 -0.756854 0.632551
C 3.835398 -0.564973 -0.807919
C 0.772648 0.064100 0.613771
C 2.661870 1.691090 1.245129
C 2.039949 -0.194781 2.764872
C 2.766931 -0.211643 -1.874881
C 4.962862 0.506502 -0.830296
C 4.482893 -1.927585 -1.196943
C 0.166377 -1.216778 0.521249
C 0.016587 1.169090 0.149624
C -1.122492 -1.396332 -0.020484
C -1.287820 1.036462 -0.380018
C -1.862897 -0.257151 -0.463751
C -2.067137 2.242076 -0.890601
C -1.715721 -2.783295 -0.220855
C -2.182341 3.553409 1.187757
C -2.115722 4.698177 -0.973403
C -3.514871 -2.622833 1.484613
C -3.860355 -3.995143 -0.532616
H 4.097328 -0.787389 1.334873
H 2.793759 -1.773651 0.664919
H 2.685258 2.119907 0.228778
H 3.681934 1.754001 1.666036
H 2.002727 2.329581 1.862448
H 2.998972 -0.044309 3.297201
H 1.263916 0.412825 3.265614
H 1.756427 -1.258450 2.868156
H 2.307645 0.774744 -1.690202
H 1.949989 -0.955420 -1.890094
H 3.232592 -0.187962 -2.879500
H 4.583473 1.519513 -0.618889
H 5.443620 0.531179 -1.827400
H 5.746467 0.272363 -0.083770
H 3.716988 -2.722476 -1.277137
H 5.227178 -2.245892 -0.441261
H 4.999902 -1.852226 -2.172515
H 0.706688 -2.106866 0.870000
H 0.410974 2.189054 0.200194
H -1.855548 2.375040 -1.971189
H -3.158884 2.019650 -0.817045
H -1.589791 -3.094861 -1.277788
H -1.191958 -3.533576 0.412681
H -3.444379 -1.391217 -0.690241
H -1.807005 4.466874 1.683776
H -1.801179 2.677954 1.740710
H -3.300294 3.549290 1.262191
H -3.226387 4.786762 -1.094033
H -1.664907 4.670264 -1.981749
H -1.758167 5.611213 -0.463273
H -4.603770 -2.497119 1.611784
H -3.009687 -1.718385 1.861206
H -3.180579 -3.494801 2.089805
H -3.480941 -4.940713 -0.083561
H -3.687405 -4.028730 -1.622068
H -4.947908 -3.938134 -0.354509


