%chk=000216873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216873

0 1
O 4.237471 -0.367279 -0.165907
O -1.632081 -1.801890 -0.489786
O -2.989277 1.908562 0.595977
N -1.291964 0.379589 0.196352
N -3.468326 -0.676002 0.329220
N -0.885576 2.754448 0.373376
C 0.143822 0.166157 0.108102
C 0.791382 0.078097 -1.154095
C 0.863373 0.025346 1.301944
C 2.174819 -0.095072 -1.180355
C 2.886847 -0.208721 0.030353
C 2.247850 -0.149747 1.276511
C 0.010569 0.150708 -2.419058
C -2.138145 -0.790306 -0.033201
C -1.792757 1.697026 0.410873
C -4.389480 -1.796614 0.048441
C 5.076748 -0.559530 0.999463
H 0.339059 0.052386 2.259281
H 2.717907 -0.166582 -2.121241
H 2.797260 -0.254659 2.205032
H -0.651259 -0.735322 -2.495835
H -0.638636 1.036445 -2.457820
H 0.640842 0.161841 -3.316693
H -3.885432 0.219356 0.626601
H -4.982667 -2.021033 0.951395
H -3.832131 -2.712811 -0.230749
H -5.074987 -1.549485 -0.779686
H 0.111557 2.625594 0.317104
H -1.218449 3.673697 0.627839
H 6.067866 -0.681217 0.542222
H 4.780233 -1.465414 1.536388
H 5.045861 0.326031 1.639952


%chk=000216873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216873

0 1
O 4.295354 -0.387850 -0.200624
O -1.559074 -1.929829 -0.225811
O -3.075170 1.922700 0.559156
N -1.310396 0.369988 0.208966
N -3.480460 -0.649531 0.179831
N -0.892836 2.685124 0.493249
C 0.129211 0.171323 0.110791
C 0.761160 0.094168 -1.165590
C 0.883308 0.044776 1.294724
C 2.158324 -0.088667 -1.202964
C 2.918735 -0.205867 -0.011884
C 2.282359 -0.139755 1.252427
C -0.048677 0.168921 -2.442927
C -2.129298 -0.831145 0.036748
C -1.828098 1.670631 0.429909
C -4.415568 -1.766274 0.025727
C 5.126368 -0.562734 0.993723
H 0.363792 0.078364 2.258478
H 2.684256 -0.159956 -2.160412
H 2.844610 -0.240943 2.184705
H -0.662965 -0.744464 -2.549806
H -0.743207 1.028816 -2.438114
H 0.604627 0.253071 -3.327195
H -3.801016 0.315255 0.380990
H -5.036756 -1.884645 0.932683
H -3.837141 -2.689770 -0.134730
H -5.084130 -1.609796 -0.841902
H 0.106979 2.512188 0.411324
H -1.247811 3.625289 0.651052
H 6.148929 -0.701254 0.613626
H 4.817815 -1.456350 1.570012
H 5.089075 0.331817 1.645838


