%chk=000222691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222691

0 1
O 0.744832 1.908314 -1.294697
O -1.276031 0.198707 -0.407996
O -1.393465 -1.677155 0.914996
N -2.596611 -1.501792 -1.066362
C 0.952624 1.068934 -0.138214
C 1.541941 -0.264885 -0.636053
C -0.413202 0.871538 0.588240
C 1.918138 1.873043 0.727047
C 1.860077 -1.263231 0.481619
C -1.140280 2.162035 0.907984
C 2.574462 -2.499122 -0.060997
C -1.719537 -1.070739 -0.085327
H 2.457704 -0.041119 -1.220440
H 0.842129 -0.725077 -1.360679
H -0.306500 0.211723 1.479764
H 2.910306 1.921990 0.257964
H 1.576946 2.912460 0.828534
H 2.038164 1.444089 1.725777
H 2.487424 -0.783083 1.257110
H 0.920792 -1.574609 0.991071
H -0.731054 2.642155 1.804517
H -1.061626 2.883262 0.079543
H -2.209356 1.980977 1.080856
H 0.019213 1.549742 -1.848687
H 3.530668 -2.243224 -0.530564
H 1.967607 -3.019937 -0.810262
H 2.783043 -3.215521 0.742299
H -2.765042 -0.955979 -1.894619
H -2.925063 -2.454798 -1.053420


%chk=000222691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222691

0 1
O 0.723792 1.895825 -1.382082
O -1.344457 0.234230 -0.487329
O -1.539435 -1.732445 0.814822
N -2.686029 -1.450510 -1.211224
C 0.936391 1.068619 -0.164306
C 1.572533 -0.283266 -0.594711
C -0.440062 0.865423 0.539744
C 1.889379 1.901820 0.708224
C 2.007095 -1.232530 0.547274
C -1.131807 2.152113 0.995253
C 2.652934 -2.525859 0.002664
C -1.835407 -1.055640 -0.201250
H 2.451983 -0.032235 -1.220115
H 0.861851 -0.819883 -1.256520
H -0.341838 0.146103 1.372627
H 2.891802 1.921355 0.247102
H 1.527970 2.940684 0.777387
H 1.980962 1.487036 1.727526
H 2.729117 -0.716202 1.209597
H 1.131722 -1.506391 1.167164
H -0.586400 2.607433 1.840252
H -1.172552 2.883371 0.170267
H -2.158360 1.930743 1.334176
H 0.041945 1.427184 -1.931283
H 3.546163 -2.300558 -0.610410
H 1.939948 -3.085011 -0.631716
H 2.965859 -3.194675 0.825121
H -2.901724 -0.823653 -1.982338
H -3.125072 -2.364382 -1.146912


