%chk=000251489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251489

0 1
O 3.081571 -0.855985 0.000487
O 2.508568 1.377151 0.000413
O -5.569437 1.138176 -0.000006
O -7.507304 -0.742272 -0.001644
O -5.965885 -2.380181 0.000619
N 0.909015 -0.364267 0.000648
N -3.921557 -0.503450 0.000246
C -0.317969 0.369227 0.000491
C -2.735503 0.304838 0.000298
C -1.506783 -0.382971 0.000449
C -0.348798 1.774749 0.000384
C -2.782312 1.706344 0.000190
C -1.582671 2.423504 0.000237
C 4.463044 -0.557296 0.000092
C 2.183532 0.217692 0.000735
C 5.118012 -0.473983 1.231192
C 5.117120 -0.472554 -1.231384
C 6.506741 -0.314005 1.215380
C 6.505860 -0.312587 -1.216392
C -5.230977 -0.017941 0.000085
C 7.196192 -0.234575 -0.000710
C -6.236563 -1.202377 -0.000090
H -1.477196 -1.468648 0.000534
H 0.578973 2.355873 0.000427
H -3.737935 2.238552 0.000076
H -1.613829 3.515887 0.000158
H 0.855984 -1.389170 0.000700
H -3.777366 -1.525358 0.000426
H 4.560102 -0.533657 2.162541
H 4.558540 -0.531134 -2.162401
H 7.052666 -0.247369 2.156441
H 7.051102 -0.244852 -2.157771
H 8.277870 -0.107134 -0.001027
H -8.183806 -1.484629 -0.001925


%chk=000251489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251489

0 1
O 3.047683 -0.875925 0.002351
O 2.551865 1.446365 0.000752
O -5.730311 1.146507 -0.002116
O -7.512000 -0.974438 -0.001666
O -5.724339 -2.461286 0.001052
N 0.886626 -0.248414 0.002400
N -3.948409 -0.421114 0.000060
C -0.331690 0.483889 0.001161
C -2.788171 0.397984 0.000013
C -1.534041 -0.262787 0.001129
C -0.378621 1.903553 0.000065
C -2.848319 1.817092 -0.001096
C -1.637278 2.539216 -0.001045
C 4.460531 -0.632369 0.001011
C 2.175309 0.256679 0.002581
C 5.140551 -0.555558 1.231639
C 5.137743 -0.551121 -1.230892
C 6.544554 -0.394144 1.223997
C 6.541750 -0.389687 -1.225877
C -5.277138 -0.029314 -0.000919
C 7.246168 -0.311566 -0.001597
C -6.173381 -1.286133 -0.000477
H -1.496672 -1.360693 0.001981
H 0.548685 2.479078 0.000106
H -3.815339 2.321903 -0.001951
H -1.675013 3.633817 -0.001883
H 0.829332 -1.269289 0.003184
H -3.813108 -1.440764 0.000881
H 4.579485 -0.620975 2.169058
H 4.574555 -0.613131 -2.167270
H 7.087075 -0.332084 2.173450
H 7.082097 -0.324166 -2.176337
H 8.334186 -0.185948 -0.002612
H -8.055361 -1.809578 -0.001234


