%chk=000201527.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201527

0 1
O 0.060104 -1.843168 -0.425446
O -2.211092 2.255396 -0.813813
O 2.318905 2.381086 -0.396596
O -0.078367 3.523578 0.821589
N -2.442970 -0.419851 0.455562
N 2.523837 -0.406626 0.353984
N -4.359620 -1.768701 0.612430
N -2.651173 -2.460419 -0.915157
N 4.154160 -2.059131 0.709469
N 2.720349 -2.310267 -1.199386
C -1.264074 0.144471 -0.220220
C 1.305367 0.172044 -0.233397
C 0.031037 -0.561393 0.250170
C -1.305730 1.657444 0.134015
C 1.287980 1.636624 0.276145
C 0.011297 2.417656 -0.097447
C -3.080249 -1.483799 0.036630
C 3.058000 -1.532247 -0.053568
H -1.323229 0.060909 -1.340909
H 1.332750 0.175710 -1.355595
H 0.042526 -0.722391 1.349251
H -1.674765 1.834235 1.172607
H 1.475100 1.685425 1.375092
H 0.068762 2.810198 -1.141165
H -0.308129 -2.540592 0.159416
H -3.136136 2.123458 -0.513101
H 3.196006 1.975077 -0.206553
H 0.633974 4.171815 0.618117
H -4.608620 -1.143046 1.379211
H -4.501718 -2.737116 0.881384
H -3.378991 -2.925808 -1.446641
H -1.879986 -2.165343 -1.516598
H 4.454549 -1.441722 1.464497
H 4.953481 -2.349821 0.154425
H 2.996630 -3.285709 -1.177392
H 1.745234 -2.218676 -1.499412


%chk=000201527-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201527

0 1
O -0.020817 -2.002162 -0.037164
O -2.468323 2.252489 -0.271252
O 2.384850 2.304314 -0.237817
O 0.006487 3.721289 0.289508
N -2.497976 -0.445568 0.534069
N 2.594308 -0.345675 0.381726
N -4.448578 -1.720248 0.300857
N -2.687480 -2.160895 -1.186440
N 4.545757 -1.618651 0.178597
N 2.591451 -2.434065 -0.845518
C -1.266827 0.130811 -0.045805
C 1.281437 0.101949 -0.130913
C 0.020055 -0.583746 0.443412
C -1.277754 1.645859 0.319301
C 1.212453 1.597778 0.279237
C -0.030099 2.347450 -0.217996
C -3.149878 -1.401979 -0.104969
C 3.184070 -1.433268 -0.084751
H -1.265858 0.071366 -1.161690
H 1.231074 0.024772 -1.243379
H 0.062437 -0.588785 1.551605
H -1.303432 1.743785 1.426188
H 1.226951 1.636447 1.391663
H -0.046731 2.346123 -1.329808
H -0.524634 -2.541913 0.620557
H -3.229490 1.702075 0.059096
H 3.147015 1.700391 -0.003911
H 0.920819 4.059053 0.094821
H -4.843168 -1.134763 1.034283
H -4.808963 -2.664886 0.183641
H -3.338974 -2.536552 -1.872536
H -1.686515 -2.140760 -1.389238
H 5.009734 -0.859082 0.672849
H 4.924500 -2.558485 0.277188
H 3.150948 -3.059791 -1.419689
H 1.566350 -2.505378 -0.804126


