%chk=000250649.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250649

0 1
O -4.119020 -0.870243 -0.756451
O -3.704820 0.759242 0.857848
O 0.003915 1.896827 -0.050499
O 5.173719 -1.760078 -0.077329
N 2.637487 -1.148484 0.433525
N 2.116833 1.076864 -0.333609
N 4.299468 0.276089 -0.656821
C -1.951485 -0.838198 0.093554
C -1.019943 -0.433906 1.242356
C -3.414274 -0.567854 0.455936
C 0.398542 -0.322081 0.771144
C 1.310999 -1.325841 0.905948
C 0.756632 0.964244 0.120609
C 1.051849 -2.658074 1.521317
C 2.966765 0.081635 -0.175885
C -5.564226 -0.726617 -0.679231
C -3.299299 1.834743 -0.044662
C -6.024560 -0.773770 -2.124868
C -4.129662 3.024356 0.399869
C 5.354493 -0.666949 -0.583773
C 6.646314 -0.195446 -1.167019
H -1.692212 -0.278852 -0.831413
H -1.825462 -1.903560 -0.172974
H -1.109852 -1.148237 2.084525
H -1.348927 0.554195 1.650804
H -3.806070 -1.158568 1.309352
H 3.339864 -1.904163 0.529098
H 0.987551 -3.449317 0.756906
H 0.091580 -2.670556 2.067467
H 1.827904 -2.954340 2.242856
H -5.801284 0.233970 -0.185873
H -5.952920 -1.567474 -0.080344
H -3.508468 1.526428 -1.082743
H -2.210917 1.993411 0.098651
H -5.695363 -1.700824 -2.612895
H -5.590328 0.053333 -2.702449
H -7.114458 -0.711888 -2.201520
H -4.020835 3.192591 1.480143
H -5.196920 2.866991 0.207414
H -3.814862 3.937934 -0.116622
H 4.454528 1.202902 -1.087039
H 7.416705 -0.982481 -1.071374
H 7.041894 0.697695 -0.658965
H 6.567627 0.041249 -2.239466


%chk=000250649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250649

0 1
O -4.187864 -0.758893 -0.933186
O -3.756521 0.842999 0.838128
O 0.077503 1.936586 -0.163844
O 5.223830 -1.890039 0.032736
N 2.686929 -1.140787 0.402677
N 2.252326 1.091287 -0.360167
N 4.404669 0.207673 -0.570858
C -1.944244 -0.626251 -0.110366
C -1.001002 -0.367595 1.095115
C -3.421838 -0.461350 0.274601
C 0.451326 -0.300566 0.677256
C 1.362122 -1.333482 0.834691
C 0.885327 0.976306 0.033184
C 1.099233 -2.694536 1.434499
C 3.053662 0.059847 -0.163260
C -5.644522 -0.850071 -0.695598
C -3.422814 2.014196 -0.022469
C -6.306932 -1.132031 -2.043397
C -4.100935 3.226594 0.614374
C 5.425566 -0.734968 -0.467610
C 6.778197 -0.287228 -0.991597
H -1.704281 0.075810 -0.927379
H -1.804681 -1.650193 -0.503713
H -1.166991 -1.134172 1.874248
H -1.279022 0.607203 1.535865
H -3.713469 -1.154613 1.094510
H 3.429512 -1.861331 0.487339
H 1.355261 -3.496279 0.716330
H 0.043159 -2.813516 1.711497
H 1.713208 -2.852597 2.341479
H -6.005537 0.098490 -0.251892
H -5.844739 -1.668484 0.030886
H -3.803785 1.827291 -1.046017
H -2.324469 2.144620 -0.064513
H -5.923625 -2.072260 -2.476656
H -6.096375 -0.314736 -2.754880
H -7.402603 -1.220193 -1.924522
H -3.736812 3.375730 1.645989
H -5.196980 3.094315 0.650121
H -3.873650 4.138373 0.031826
H 4.587074 1.129467 -0.978771
H 7.504312 -1.097467 -0.836590
H 7.130940 0.617370 -0.463788
H 6.728038 -0.053621 -2.070781


