%chk=000202028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202028

1 1
O -0.298546 -1.845139 0.874792
O -0.140860 0.718905 -0.621449
N -2.874763 -1.070968 -0.773801
C -2.724889 -0.452203 0.625217
C -3.106935 0.063730 -1.785672
C -1.558728 -1.794764 -1.178514
C -3.917882 0.423008 1.010599
C -4.313241 0.932027 -1.426582
C -4.173017 1.523655 -0.021734
C -4.039792 -2.034455 -0.779093
C -1.012866 -2.695628 -0.055951
C -1.719243 -2.578147 -2.471438
C 1.084561 -1.749397 0.669204
C 1.625568 -0.482820 0.400156
C 1.887474 -2.883475 0.847382
C 3.026525 -0.372120 0.316820
C 3.272610 -2.746017 0.748131
C 0.786104 0.730639 0.180517
C 3.840046 -1.492637 0.478671
C 1.122852 1.954565 0.946408
C 1.733020 1.882161 2.209958
C 0.801822 3.207701 0.395359
C 2.022024 3.053911 2.911033
C 1.101930 4.376595 1.096610
C 1.711406 4.300375 2.354064
H -1.780425 0.155093 0.629480
H -2.572548 -1.256862 1.379196
H -3.222504 -0.369192 -2.803605
H -2.177983 0.697075 -1.798993
H -0.787463 -0.959116 -1.333400
H -3.713612 0.878920 2.005490
H -4.831606 -0.187233 1.158892
H -5.260586 0.364660 -1.517620
H -4.397475 1.751416 -2.175110
H -5.087152 2.092881 0.245605
H -3.348240 2.266520 0.000153
H -4.275663 -2.390009 -1.797404
H -3.836353 -2.917751 -0.149978
H -4.957822 -1.555428 -0.385153
H -1.786730 -3.168164 0.576451
H -0.355102 -3.488707 -0.459852
H -2.174935 -1.990827 -3.281749
H -0.730524 -2.883001 -2.859298
H -2.302925 -3.501487 -2.361596
H 1.439432 -3.846528 1.086499
H 3.477131 0.604757 0.115918
H 3.917717 -3.617761 0.887010
H 4.925033 -1.393999 0.401275
H 1.975631 0.912308 2.648971
H 0.322020 3.258348 -0.584699
H 2.493200 2.999635 3.893655
H 0.863009 5.349501 0.664981
H 1.945795 5.215448 2.902693


%chk=000202028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202028

1 1
O -0.275678 -1.849359 0.876948
O -0.097528 0.756630 -0.495434
N -2.986308 -1.120977 -0.801721
C -2.861538 -0.514634 0.626704
C -3.193961 0.057165 -1.794245
C -1.638723 -1.844384 -1.213347
C -4.044634 0.390645 1.007023
C -4.393591 0.949216 -1.438716
C -4.254558 1.529166 -0.014489
C -4.155832 -2.089358 -0.853090
C -1.031777 -2.691628 -0.070454
C -1.803920 -2.694478 -2.487267
C 1.130530 -1.755820 0.675478
C 1.718882 -0.466929 0.524024
C 1.932320 -2.914606 0.761218
C 3.138573 -0.382328 0.467084
C 3.337421 -2.807872 0.670008
C 0.896593 0.774488 0.312914
C 3.942938 -1.538694 0.522162
C 1.269324 2.036251 1.013338
C 2.019918 2.033860 2.223556
C 0.808745 3.273979 0.479968
C 2.302344 3.248051 2.883623
C 1.105518 4.484150 1.133291
C 1.852102 4.473478 2.338397
H -1.915990 0.047502 0.620513
H -2.758394 -1.356508 1.328762
H -3.300221 -0.380882 -2.799768
H -2.256530 0.638547 -1.746914
H -0.942899 -1.002026 -1.383740
H -3.808977 0.807735 2.003705
H -4.977882 -0.190170 1.136212
H -5.348604 0.400732 -1.548311
H -4.421210 1.762507 -2.187381
H -5.149716 2.119114 0.248190
H -3.388888 2.219381 0.018405
H -4.327842 -2.410416 -1.889787
H -3.931316 -2.963307 -0.222548
H -5.059860 -1.596813 -0.473393
H -1.790150 -3.233905 0.522505
H -0.363259 -3.444299 -0.528046
H -2.302708 -2.157694 -3.311237
H -0.795347 -2.955248 -2.852663
H -2.342282 -3.641431 -2.306911
H 1.463943 -3.888617 0.940914
H 3.606467 0.599740 0.342473
H 3.955388 -3.709063 0.737257
H 5.031514 -1.451057 0.456622
H 2.355317 1.086676 2.658298
H 0.232831 3.261662 -0.451133
H 2.869068 3.241549 3.820223
H 0.764374 5.434866 0.710770
H 2.080511 5.415410 2.848511


