%chk=000180473.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180473

0 1
O 1.234847 1.032409 1.003188
O 1.511976 3.132526 -0.396149
O 3.419834 -1.046102 0.594481
O 3.714425 0.795709 -0.724523
N -3.778171 -0.694166 0.296350
C -1.140948 0.628059 0.537091
C -2.056270 0.858713 -0.691494
C -2.872625 -0.454296 -0.882952
C -0.069033 1.733838 0.796319
C -1.992297 0.313245 1.783361
C -0.249898 -0.537914 0.178728
C -2.022224 -1.753394 -1.047422
C -3.493113 0.176543 1.484788
C -0.620175 -1.666384 -0.531047
C 0.158111 2.698101 -0.399342
C -1.238166 1.267268 -1.884334
C 1.090116 -0.247048 0.498355
C -0.209365 2.106233 -1.736803
C -5.216462 -0.567304 -0.086477
C 0.385466 -2.626733 -0.789518
C 2.079932 -1.190014 0.223130
C 1.706531 -2.394766 -0.408329
C 4.162952 0.014299 0.073341
C 5.519528 -0.057138 0.678865
H -2.772992 1.693341 -0.480777
H -3.476606 -0.343958 -1.819716
H -0.189961 2.280666 1.748257
H -1.852121 1.084952 2.563018
H -1.627207 -0.633899 2.237270
H -2.001595 -2.032443 -2.119552
H -2.551630 -2.586941 -0.527271
H -3.990603 -0.313959 2.353440
H -3.945557 1.188614 1.388482
H -0.408056 3.649516 -0.236630
H -1.520479 0.845504 -2.844763
H 0.428209 2.426017 -2.560612
H -5.519436 0.431326 -0.433589
H -5.845071 -0.838295 0.777788
H -5.441478 -1.297992 -0.880391
H 0.130128 -3.547460 -1.308230
H 2.481889 -3.133939 -0.611098
H 2.132419 2.344975 -0.426770
H 5.714496 0.836734 1.294708
H 6.295914 -0.091585 -0.101641
H 5.648266 -0.939957 1.326971


%chk=000180473-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180473

0 1
O 1.248827 0.969643 1.052911
O 1.775649 3.017914 -0.653221
O 3.340494 -1.199974 0.683856
O 3.651334 0.797363 -0.507116
N -3.631326 -0.640458 0.402785
C -1.124553 0.758780 0.475189
C -2.089477 1.003062 -0.721018
C -2.937791 -0.304515 -0.880901
C 0.025405 1.800669 0.680343
C -1.961622 0.549860 1.791125
C -0.313273 -0.482829 0.111923
C -2.084109 -1.526991 -1.332948
C -3.461381 0.326437 1.501574
C -0.729374 -1.585997 -0.643015
C 0.363095 2.676346 -0.580577
C -1.314737 1.382397 -1.969299
C 1.018980 -0.306743 0.512626
C -0.171963 2.110036 -1.889636
C -5.006313 -1.126796 0.223221
C 0.223803 -2.622888 -0.847824
C 1.970962 -1.310659 0.279963
C 1.548614 -2.493794 -0.372010
C 4.090043 -0.076489 0.266734
C 5.456400 -0.106410 0.907303
H -2.792508 1.825079 -0.470678
H -3.696165 -0.108511 -1.674253
H -0.126671 2.450627 1.555561
H -1.857601 1.434932 2.448020
H -1.562028 -0.320333 2.340716
H -1.908656 -1.477569 -2.428378
H -2.672470 -2.445139 -1.146340
H -3.946111 -0.093552 2.403373
H -3.967514 1.307777 1.303272
H -0.133646 3.655140 -0.416640
H -1.703230 1.056553 -2.943909
H 0.391327 2.404028 -2.783942
H -5.719947 -0.337764 -0.126947
H -5.389038 -1.532756 1.177411
H -5.023905 -1.946107 -0.518811
H -0.054820 -3.518332 -1.414938
H 2.287381 -3.282817 -0.545488
H 2.334493 2.191836 -0.586035
H 5.372204 0.227516 1.957559
H 6.132482 0.574925 0.371030
H 5.862237 -1.130593 0.915927


