%chk=000252857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252857

0 1
O 5.129868 0.527199 0.813969
O -0.639215 -2.734357 1.160023
O 3.771005 1.207095 -0.868760
O -4.330826 -1.410780 -1.195701
O -3.056290 2.568940 -0.704981
O -4.577831 1.292329 -1.564322
N -0.904221 -0.459241 0.802321
N -2.502805 -2.056722 -0.036196
N -3.555849 1.474385 -0.946370
C 0.387711 -0.179219 1.503583
C 1.509273 0.080730 0.491338
C 2.841478 0.296515 1.210665
C -1.639732 0.561439 0.259909
C -1.312290 -1.856728 0.668744
C -2.818449 0.322985 -0.421409
C 3.903978 0.732473 0.233299
C -3.343436 -1.023374 -0.630132
C 6.328537 0.876468 0.044970
C 6.594604 -0.182160 -1.002658
H 0.635721 -1.066797 2.142439
H 0.249641 0.684294 2.191677
H 1.279925 0.961647 -0.147521
H 1.598057 -0.773105 -0.215668
H 3.170651 -0.627781 1.736911
H 2.756643 1.069422 2.006024
H -1.272537 1.603594 0.384555
H -2.819579 -3.035965 -0.147874
H 6.183424 1.881312 -0.389747
H 7.086315 0.898057 0.849875
H 7.565742 -0.028941 -1.489506
H 6.595022 -1.190973 -0.569985
H 5.827165 -0.166040 -1.791674


%chk=000252857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252857

0 1
O 5.163481 0.670800 0.763658
O -0.525944 -2.778462 0.820527
O 3.796352 0.809174 -1.125758
O -4.503763 -1.382785 -1.184221
O -3.289924 2.700344 -0.233738
O -4.852421 1.418308 -1.298590
N -0.955065 -0.460938 0.755911
N -2.502826 -1.995013 -0.169009
N -3.764027 1.553818 -0.630921
C 0.353888 -0.181235 1.412083
C 1.478988 0.045876 0.381406
C 2.825962 0.282992 1.090173
C -1.784242 0.556524 0.366925
C -1.281176 -1.832340 0.486208
C -2.988062 0.355521 -0.288074
C 3.939143 0.608020 0.102060
C -3.453934 -1.006662 -0.613774
C 6.367365 0.983950 -0.074261
C 6.941828 -0.293047 -0.692161
H 0.585865 -1.054750 2.044230
H 0.222712 0.702573 2.062408
H 1.242308 0.910016 -0.266095
H 1.557435 -0.836710 -0.278092
H 3.132775 -0.599897 1.681657
H 2.758961 1.123723 1.809517
H -1.474774 1.580981 0.593880
H -2.769842 -2.965311 -0.369869
H 6.072661 1.710863 -0.851305
H 7.063373 1.449791 0.641087
H 7.873974 -0.054707 -1.237157
H 7.179806 -1.036991 0.087512
H 6.230825 -0.737727 -1.408419


