%chk=000243503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243503

0 1
O 0.050251 0.746322 0.280087
O -6.005581 0.619659 0.417350
O -0.597390 -2.562650 -0.691764
O 2.051360 -1.732114 -1.185514
N 0.292396 -0.500491 -0.304121
N 2.554657 0.050762 0.231181
C -0.188468 1.791900 -0.744150
C -0.398206 3.019138 0.138926
C -2.179269 -0.840023 -0.204509
C -0.824539 -1.411072 -0.407595
C 1.701869 -0.821684 -0.472409
C -2.493436 -0.014228 0.891063
C -3.181241 -1.211854 -1.115741
C -1.817368 3.567287 0.050344
C 3.984917 0.010138 0.188013
C -4.778170 0.082078 0.130228
C -3.788497 0.453290 1.067178
C -4.487039 -0.746732 -0.964355
C 4.672785 0.988203 0.937711
C 4.693739 -0.947720 -0.556547
C 6.067861 0.994307 0.930795
C 6.088980 -0.919926 -0.547680
C 6.780912 0.045607 0.190699
C -7.119321 0.287256 -0.449940
H 0.696064 1.858867 -1.394832
H -1.070659 1.506379 -1.338513
H -0.167124 2.746267 1.195026
H 0.333572 3.806921 -0.128631
H -1.708817 0.262141 1.602714
H -2.933194 -1.875312 -1.950010
H -2.562559 2.809152 0.329113
H -1.955503 4.422237 0.723086
H -2.060707 3.907798 -0.963003
H 2.127971 0.777935 0.820193
H -4.059818 1.084949 1.910288
H -5.251257 -1.036055 -1.678005
H 4.131970 1.729467 1.518981
H 4.163050 -1.711331 -1.135063
H 6.604082 1.746494 1.508991
H 6.641407 -1.662852 -1.124044
H 7.867877 0.057574 0.190772
H -7.943257 0.835517 0.026680
H -6.935327 0.656992 -1.462504
H -7.305074 -0.790693 -0.432989


%chk=000243503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243503

0 1
O 0.074087 1.065996 -0.055627
O -6.071672 0.025305 0.956832
O -0.712619 -1.754709 -2.147919
O 1.916121 -1.940380 -0.970555
N 0.275826 -0.270288 -0.623922
N 2.492561 0.122493 0.035866
C -0.010264 2.083240 -1.168345
C -0.141807 3.454953 -0.502140
C -2.202094 -0.598979 -0.633028
C -0.861915 -0.933309 -1.205475
C 1.626353 -0.790056 -0.560880
C -2.408407 -0.183904 0.713652
C -3.332522 -0.822034 -1.460156
C -1.473586 3.652754 0.252814
C 3.886661 -0.033488 0.265558
C -4.828225 -0.202229 0.363021
C -3.706723 0.005907 1.209138
C -4.640758 -0.619542 -0.981162
C 4.550398 1.022900 0.948039
C 4.626264 -1.170352 -0.158036
C 5.934235 0.947128 1.202907
C 6.011973 -1.229110 0.104913
C 6.676642 -0.181050 0.781871
C -7.273238 -0.202641 0.145450
H 0.906638 1.998548 -1.782913
H -0.895896 1.844360 -1.786665
H 0.715932 3.612128 0.181153
H -0.045398 4.214827 -1.303232
H -1.550971 -0.028526 1.373295
H -3.165990 -1.175632 -2.483314
H -1.596143 2.897243 1.047392
H -1.516731 4.653983 0.717186
H -2.334977 3.558228 -0.433867
H 2.041439 0.966865 0.402764
H -3.883922 0.307225 2.245726
H -5.492418 -0.795510 -1.644509
H 3.980734 1.901072 1.279313
H 4.114434 -1.983761 -0.675395
H 6.431389 1.768801 1.730480
H 6.575545 -2.109226 -0.224759
H 7.752050 -0.241239 0.979590
H -8.115622 0.025855 0.813950
H -7.297917 0.471586 -0.732026
H -7.335568 -1.255534 -0.189489


