%chk=000211055.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211055

0 1
O 0.348521 0.682176 1.369679
O 1.476429 1.947010 -1.879430
N -4.703613 -0.094452 -0.472944
C 0.345041 0.745618 -0.115866
C 0.814289 -0.669725 1.865700
C 0.726960 -0.665862 -0.549503
C -1.057329 1.216560 -0.607669
C 0.980488 -1.471146 0.581240
C 1.393887 1.777223 -0.647683
C -2.214155 0.273574 -0.226069
C 2.148465 -0.476538 2.621278
C -0.280466 -1.220489 2.800932
C 2.266220 2.579643 0.321119
C 0.843596 -1.185512 -1.853569
C 1.346773 -2.822891 0.429213
C -3.568459 0.830423 -0.711454
C 1.209648 -2.543452 -2.009855
C 1.456329 -3.357868 -0.876882
C 3.762784 2.333474 -0.008576
C 1.912238 4.086298 0.179221
C -5.907234 0.309190 -1.228777
C -5.006646 -0.291456 0.958865
H -1.243448 2.223494 -0.181833
H -0.994512 1.337159 -1.706086
H -2.066558 -0.726330 -0.675328
H -2.216439 0.151455 0.871986
H 2.511874 -1.442379 3.018247
H 2.924427 -0.064260 1.953968
H 2.004201 0.216315 3.469047
H -1.221760 -1.379218 2.249390
H 0.033282 -2.184195 3.242822
H -0.465730 -0.504474 3.620639
H 2.040258 2.248582 1.347631
H 0.669815 -0.542876 -2.722424
H 1.543929 -3.454541 1.303227
H -3.747498 1.833522 -0.236082
H -3.509240 1.002881 -1.804429
H 1.304625 -2.968661 -3.015078
H 1.737222 -4.408119 -1.013676
H 3.972159 2.613502 -1.055979
H 4.401657 2.943133 0.656151
H 4.043177 1.272070 0.123700
H 0.857925 4.284389 0.445473
H 2.078426 4.419978 -0.860455
H 2.552487 4.686867 0.850652
H -5.668045 0.369025 -2.305629
H -6.322460 1.300779 -0.911068
H -6.700998 -0.448252 -1.096872
H -4.133055 -0.712593 1.484102
H -5.839302 -1.010267 1.061844
H -5.300986 0.656915 1.479990


%chk=000211055-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211055

0 1
O 0.467592 0.673443 1.324597
O 1.617752 1.733621 -2.005089
N -4.634655 0.008861 -0.490999
C 0.448140 0.667049 -0.164125
C 0.830508 -0.686610 1.882186
C 0.766561 -0.778470 -0.532383
C -0.938308 1.165206 -0.675952
C 0.965516 -1.547811 0.633646
C 1.534678 1.629105 -0.750989
C -2.134997 0.299589 -0.238311
C 2.160562 -0.551871 2.656860
C -0.311797 -1.132141 2.817366
C 2.409482 2.447398 0.198146
C 0.867508 -1.358480 -1.812279
C 1.259022 -2.922737 0.542291
C -3.458193 0.857222 -0.802436
C 1.162299 -2.739153 -1.907748
C 1.353377 -3.517207 -0.739017
C 3.678629 2.963982 -0.507579
C 1.551266 3.617193 0.772531
C -5.806488 0.373873 -1.313517
C -4.970225 -0.018533 0.946806
H -1.080281 2.203687 -0.315061
H -0.875153 1.214485 -1.780147
H -2.015136 -0.740735 -0.594133
H -2.164449 0.276050 0.865908
H 2.430491 -1.513260 3.131544
H 2.983720 -0.260134 1.982364
H 2.059171 0.211626 3.448166
H -1.253050 -1.252984 2.256738
H -0.065467 -2.097550 3.296659
H -0.463589 -0.377913 3.609353
H 2.672798 1.799952 1.055116
H 0.736277 -0.744484 -2.708822
H 1.412338 -3.526600 1.444370
H -3.602306 1.910412 -0.436242
H -3.375677 0.913309 -1.905957
H 1.245157 -3.210623 -2.893220
H 1.579074 -4.585709 -0.828547
H 3.414456 3.585870 -1.380347
H 4.281412 3.572242 0.191365
H 4.303913 2.130443 -0.874307
H 0.675574 3.233973 1.322531
H 1.210849 4.285943 -0.039325
H 2.166462 4.212403 1.471342
H -5.545037 0.304694 -2.384652
H -6.186029 1.410122 -1.116638
H -6.633366 -0.332578 -1.117626
H -4.127975 -0.424024 1.532301
H -5.840203 -0.680087 1.107918
H -5.223010 0.993639 1.358247


