%chk=000257389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257389

0 1
O 1.100650 0.494269 2.493009
O -0.346350 0.003740 -2.075946
O 2.323419 3.452435 -0.755298
N 1.700265 1.945158 0.873853
N 0.952436 1.712672 -1.395992
N -3.670139 -0.395283 0.526994
C 0.160524 0.009144 0.304537
C 0.682246 -1.447670 0.297315
C -1.298078 0.107540 0.818072
C 2.153359 -1.558816 -0.119749
C 1.002307 0.789984 1.324564
C 0.205554 0.527822 -1.135234
C -2.304480 -0.756222 0.039698
C 2.608266 -3.025924 -0.137057
C 1.708157 2.455107 -0.451586
C 4.073129 -3.152285 -0.546590
C -4.741965 -0.915424 -0.380382
C -6.104306 -0.788752 0.298313
H 0.051291 -2.052785 -0.388168
H 0.541346 -1.882133 1.309990
H -1.636505 1.167080 0.785508
H -1.318156 -0.175180 1.893655
H 2.307778 -1.114350 -1.122703
H 2.798626 -0.983334 0.573297
H -2.065939 -1.834740 0.155123
H -2.237737 -0.533761 -1.052940
H 1.974544 -3.610155 -0.833543
H 2.460195 -3.479156 0.863359
H 2.252373 2.471626 1.572068
H 0.954175 2.068981 -2.367055
H -3.807603 -0.759827 1.475746
H 4.735964 -2.618391 0.144437
H 4.251210 -2.748094 -1.549954
H 4.391233 -4.201474 -0.557186
H -4.719217 -0.293981 -1.305298
H -4.572033 -1.967955 -0.696728
H -6.203593 -1.457958 1.159630
H -6.274031 0.236056 0.657765
H -6.913715 -1.027364 -0.401024


%chk=000257389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257389

0 1
O 1.313825 0.345036 2.439291
O -0.062703 -0.091189 -2.191993
O 1.724065 3.870179 -0.559270
N 1.464594 2.082661 0.926033
N 0.755696 1.880917 -1.317347
N -3.632610 -0.410891 0.478774
C 0.257276 -0.022365 0.248833
C 0.749274 -1.501557 0.242836
C -1.242429 0.087899 0.753829
C 2.237132 -1.670647 -0.136385
C 1.064944 0.781324 1.286078
C 0.313553 0.549936 -1.176207
C -2.282965 -0.742868 -0.026826
C 2.668784 -3.155209 -0.146409
C 1.335876 2.698167 -0.331488
C 4.151764 -3.342568 -0.531129
C -4.747908 -0.992892 -0.303452
C -6.105341 -0.595872 0.300730
H 0.127625 -2.064208 -0.475508
H 0.573238 -1.917457 1.252480
H -1.571123 1.145038 0.728499
H -1.232074 -0.226661 1.816304
H 2.419939 -1.240143 -1.142464
H 2.876927 -1.116235 0.579622
H -2.044628 -1.830877 0.049733
H -2.248203 -0.485913 -1.101055
H 2.027149 -3.715206 -0.856697
H 2.486207 -3.594111 0.855427
H 1.926408 2.644097 1.649269
H 0.705515 2.288580 -2.257021
H -3.728690 -0.633198 1.480941
H 4.816119 -2.819793 0.182431
H 4.353849 -2.934436 -1.539420
H 4.435715 -4.410730 -0.536078
H -4.673278 -0.603628 -1.337710
H -4.684679 -2.108089 -0.378091
H -6.215692 -0.987170 1.330674
H -6.201295 0.503221 0.339953
H -6.936656 -1.002542 -0.302687


