%chk=000298404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298404

0 1
O -1.163275 -1.788609 -1.716985
O 3.721541 -1.749518 0.990333
N 0.220236 -1.982291 0.079121
C -1.933753 -0.757264 0.304990
C -3.422822 -0.887314 -0.025037
C -2.865146 -1.510267 1.240077
C -0.952541 -1.512158 -0.546239
C -4.297077 0.315958 0.024970
C 2.904034 -0.793373 0.276371
C 1.314007 -2.500448 -0.789796
C 0.700267 -1.464966 1.384794
C 2.399937 -1.443290 -1.028170
C 1.748104 -0.358320 1.204915
C -4.056959 1.382670 -0.855159
C -5.376870 0.376137 0.917475
C 3.836073 0.376100 -0.011341
C -4.889191 2.504172 -0.834088
C -6.206405 1.501191 0.932625
C 5.162731 0.352581 0.438221
C 3.366089 1.487214 -0.728000
C -5.963650 2.566373 0.059977
C 6.012567 1.430773 0.173809
C 4.218230 2.562686 -0.990300
C 5.542551 2.536820 -0.539905
H -1.557453 0.228201 0.612209
H -3.690888 -1.560063 -0.860471
H -3.101382 -1.074582 2.209706
H -2.790336 -2.594875 1.311554
H 0.878121 -2.827741 -1.766423
H 1.737341 -3.407827 -0.307632
H 1.136337 -2.321214 1.950349
H -0.151447 -1.099330 1.997698
H 3.259599 -1.900242 -1.559016
H 2.012895 -0.662188 -1.712967
H 1.273298 0.558075 0.806551
H 2.171384 -0.075716 2.190134
H -3.225201 1.328751 -1.556808
H -5.571656 -0.454221 1.593197
H 3.232546 -2.579468 1.141226
H -4.702224 3.330789 -1.517742
H -7.045016 1.546135 1.625483
H 5.528171 -0.514911 0.995294
H 2.338207 1.517215 -1.085761
H -6.610763 3.440835 0.073711
H 7.042703 1.406057 0.525270
H 3.850265 3.422241 -1.547695
H 6.204619 3.375622 -0.745820


%chk=000298404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298404

0 1
O -1.267854 -2.841339 -1.415714
O 3.391755 -1.519922 1.353240
N 0.129350 -2.113804 0.298212
C -2.316850 -1.618407 0.377376
C -3.312876 -0.831327 -0.542699
C -3.692721 -2.198081 0.023819
C -1.121884 -2.229067 -0.301699
C -3.922959 0.450694 -0.073329
C 2.702878 -0.682884 0.324883
C 1.305735 -2.707384 -0.377390
C 0.491023 -1.292905 1.473353
C 2.268269 -1.596108 -0.852996
C 1.448376 -0.146976 1.065462
C -3.987129 1.556168 -0.963703
C -4.437131 0.617754 1.241573
C 3.625229 0.476390 -0.089962
C -4.544978 2.788046 -0.556951
C -4.993525 1.848723 1.651178
C 4.455312 1.074517 0.896536
C 3.658092 0.999455 -1.407892
C -5.050353 2.941457 0.754415
C 5.294997 2.161931 0.574220
C 4.498935 2.088965 -1.732037
C 5.320372 2.675307 -0.743643
H -2.207913 -1.216165 1.386618
H -3.018858 -0.849636 -1.597930
H -4.444413 -2.242429 0.817365
H -3.684267 -3.034568 -0.679582
H 0.937678 -3.298894 -1.230133
H 1.825690 -3.371340 0.339187
H 1.003303 -1.936794 2.212969
H -0.406806 -0.871528 1.947797
H 3.161365 -2.049638 -1.326335
H 1.749631 -0.999110 -1.625398
H 0.924154 0.568554 0.405390
H 1.777863 0.400236 1.967378
H -3.597805 1.444919 -1.983244
H -4.411039 -0.218530 1.951503
H 4.258557 -1.819449 0.975731
H -4.585746 3.626360 -1.261847
H -5.386110 1.956498 2.668901
H 4.438871 0.671322 1.914990
H 3.032157 0.563450 -2.193088
H -5.483557 3.896209 1.072450
H 5.928773 2.609089 1.348558
H 4.512122 2.477485 -2.756662
H 5.972086 3.519158 -0.996166


