%chk=000206982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206982

0 1
O 1.644136 0.403625 0.999328
O -3.777224 0.720495 -1.487441
O -6.472322 0.143395 -0.778740
O 0.917382 0.864020 -1.110593
O 4.094910 2.956511 2.912010
O 2.076990 2.285289 2.537289
N 2.674959 -1.475518 -0.849338
N 3.280584 2.232716 2.357480
C 3.532514 -0.593338 -0.207664
C 4.939889 -0.619887 -0.396464
C 2.971445 0.377190 0.708097
C 3.807868 1.237901 1.412552
C -3.034984 -0.525331 0.328887
C 5.772585 0.285119 0.335385
C -4.141081 -0.048518 -0.408715
C 5.225391 1.176385 1.216630
C -0.672515 0.231166 0.658531
C -1.683370 -0.183721 -0.127038
C 5.463877 -1.581483 -1.320251
C -5.460222 -0.382000 0.008296
C -3.260242 -1.343434 1.451076
C 0.626186 0.515180 -0.005224
C -5.660185 -1.187432 1.128442
C -4.554095 -1.669106 1.843090
C 4.608723 -2.437337 -1.965011
C -0.720851 0.464360 2.127125
C 3.200543 -2.356252 -1.692485
C -4.822721 1.258239 -2.336868
C -7.837026 -0.138013 -0.383648
H 6.850605 0.246893 0.178473
H 5.848186 1.872656 1.793050
H -1.548956 -0.267879 -1.218462
H 6.540121 -1.613722 -1.494195
H -2.405119 -1.730298 2.005606
H -6.661744 -1.450975 1.457300
H -4.716779 -2.303838 2.712876
H 4.968373 -3.178463 -2.677423
H -0.062066 1.302114 2.429586
H -0.360396 -0.414915 2.682156
H -1.734416 0.703182 2.477255
H 2.505832 -3.044531 -2.192450
H -4.237938 1.800890 -3.088970
H -5.464281 1.932353 -1.759252
H -5.403297 0.443843 -2.781934
H -8.040195 0.274509 0.608835
H -8.033008 -1.213087 -0.428760
H -8.404665 0.397843 -1.155330


%chk=000206982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206982

0 1
O 1.717978 0.235531 1.218671
O -3.843934 1.209482 -1.123627
O -6.556825 0.511013 -0.720352
O 0.779668 0.683731 -0.885122
O 4.123463 3.234214 2.703566
O 2.011771 2.847623 1.934297
N 2.797354 -1.702851 -0.438863
N 3.270389 2.581784 1.978401
C 3.594469 -0.624725 -0.091966
C 4.970912 -0.494630 -0.515529
C 3.010827 0.403407 0.736188
C 3.809860 1.487726 1.136853
C -3.156695 -0.415930 0.507242
C 5.747604 0.625550 -0.074380
C -4.216738 0.186413 -0.244027
C 5.182357 1.590522 0.750256
C -0.657745 -0.053143 0.983225
C -1.780894 -0.021185 0.184500
C 5.497120 -1.523881 -1.362305
C -5.573891 -0.188253 0.003515
C -3.483362 -1.421486 1.466382
C 0.601766 0.321697 0.292478
C -5.865112 -1.191119 0.955658
C -4.816321 -1.808683 1.676509
C 4.681411 -2.595458 -1.727987
C -0.607315 -0.378680 2.461482
C 3.337555 -2.645475 -1.231937
C -4.432244 1.259506 -2.480436
C -7.959302 0.199118 -0.432784
H 6.792091 0.714696 -0.392056
H 5.754843 2.446033 1.117098
H -1.638226 0.368235 -0.831812
H 6.534002 -1.457003 -1.710172
H -2.679469 -1.932538 2.000488
H -6.900281 -1.487648 1.148136
H -5.051180 -2.595532 2.400587
H 5.049450 -3.397336 -2.375106
H 0.109915 0.284521 2.970952
H -0.264728 -1.416111 2.641181
H -1.596874 -0.250394 2.928695
H 2.685703 -3.487017 -1.493745
H -3.838718 2.022388 -3.006600
H -5.494590 1.543056 -2.437445
H -4.323076 0.281178 -2.985725
H -8.202289 0.394627 0.629370
H -8.199815 -0.852249 -0.683762
H -8.539482 0.876071 -1.076895


