%chk=000254477.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254477

0 1
O -5.906009 0.616659 -0.653585
O -4.474025 2.206883 0.074085
O -1.268992 -1.504417 0.723719
O 2.770668 -1.110981 -0.208122
O 1.960935 0.966510 -0.758754
N -2.466955 0.453304 0.503136
N 1.139955 -0.232740 1.085613
C -3.763161 -0.159614 0.098258
C -3.628181 -1.022998 -1.184033
C -4.346031 -1.073235 1.211779
C -3.828829 -2.476555 -0.726903
C -4.719421 -2.397054 0.523988
C -4.709825 1.038911 -0.145094
C -1.320308 -0.289182 0.772603
C -0.103990 0.556453 1.180167
C -6.897731 1.649392 -0.919683
C 1.936984 -0.022095 -0.053119
C 3.864894 -0.966423 -1.171642
C 5.029693 -0.276726 -0.521807
C 5.050772 1.123546 -0.434745
C 6.096202 -1.025270 -0.004847
C 6.138537 1.769216 0.157233
C 7.183888 -0.374023 0.584733
C 7.207025 1.021889 0.664762
H -4.394106 -0.739759 -1.929578
H -2.647509 -0.885697 -1.671372
H -5.212622 -0.615708 1.714716
H -3.586980 -1.254444 1.997337
H -4.273747 -3.099957 -1.516415
H -2.846703 -2.924454 -0.466003
H -4.558246 -3.258688 1.192406
H -5.788240 -2.403315 0.244926
H -2.453144 1.479810 0.562508
H -0.012933 1.489628 0.568177
H -0.219740 0.886489 2.242260
H -7.158866 2.156228 0.014431
H -7.735031 1.069159 -1.322424
H -6.500418 2.361551 -1.649848
H 1.059711 -1.200285 1.430738
H 4.056875 -2.027614 -1.420427
H 3.490679 -0.425185 -2.062232
H 4.206445 1.703145 -0.820936
H 6.078408 -2.112635 -0.055646
H 6.152637 2.855848 0.224734
H 8.012218 -0.956041 0.984629
H 8.054720 1.526975 1.124277


%chk=000254477-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254477

0 1
O -6.126467 0.489343 0.074003
O -4.539702 2.078518 -0.514963
O -1.197041 -1.551259 -0.252250
O 3.229977 -0.821442 -1.274628
O 2.528464 1.426600 -1.533869
N -2.525966 0.363736 -0.417252
N 1.050578 -0.281342 -0.923660
C -3.824634 -0.255297 -0.068654
C -4.216893 -1.481636 -0.991381
C -3.850970 -0.833074 1.401985
C -4.283123 -2.717476 -0.056510
C -4.689483 -2.128271 1.316410
C -4.835717 0.895886 -0.205264
C -1.333072 -0.305369 -0.480158
C -0.124212 0.574603 -0.857643
C -7.170599 1.544603 -0.002277
C 2.278685 0.218256 -1.260522
C 4.637805 -0.394231 -1.568126
C 5.397200 -0.048215 -0.304447
C 5.324430 1.260711 0.240503
C 6.191160 -1.024676 0.348442
C 6.030969 1.581823 1.420433
C 6.899541 -0.704222 1.528342
C 6.820689 0.601315 2.066674
H -5.203308 -1.295016 -1.450393
H -3.475825 -1.599297 -1.798129
H -4.237209 -0.100498 2.131821
H -2.810565 -1.080092 1.673797
H -4.994006 -3.478625 -0.423705
H -3.280549 -3.173602 0.014684
H -4.475620 -2.811954 2.157120
H -5.768768 -1.889304 1.329868
H -2.569856 1.369602 -0.627849
H -0.305126 1.078167 -1.828487
H 0.009247 1.378704 -0.105754
H -6.947293 2.350666 0.715898
H -8.105164 1.027736 0.254166
H -7.210196 1.963753 -1.021116
H 0.911459 -1.273393 -0.701123
H 5.064376 -1.276123 -2.071970
H 4.592481 0.463969 -2.260926
H 4.700900 2.009869 -0.260503
H 6.250957 -2.038140 -0.067503
H 5.969344 2.594743 1.834180
H 7.511485 -1.466203 2.024150
H 7.371119 0.852655 2.980584


