%chk=000117865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117865

0 1
O 5.335986 2.853015 0.014608
O -5.964528 2.425042 -0.026696
N 7.819562 -3.024631 0.072544
C 1.220437 0.346066 0.005953
C -1.669054 0.237621 0.000454
C 0.559004 -0.929186 0.010287
C -0.913700 -0.984328 0.008616
C 0.466641 1.571526 0.000464
C -1.008659 1.516201 -0.004360
C 2.641117 0.397797 0.008213
C -3.089404 0.182729 -0.002794
C 3.405704 -0.820662 0.011508
C -3.760668 -1.090007 0.003505
C 3.290994 1.671193 0.008254
C -3.832960 1.404139 -0.012328
C 1.321453 -2.084409 0.016546
C -1.587622 -2.193382 0.014506
C 1.134711 2.783624 -0.000030
C -1.765734 2.675122 -0.013375
C 4.882512 -0.756119 0.010946
C 2.733995 -2.029046 0.017218
C -5.234576 -1.136163 0.000861
C -3.000042 -2.244869 0.012165
C 2.549123 2.833907 0.004558
C -3.179160 2.619847 -0.017565
C 5.532292 0.497601 0.015764
C 4.782990 1.766154 0.013766
C -5.323422 1.390042 -0.016933
C -5.983912 0.057669 -0.009040
C 5.650060 -1.926450 0.001456
C -5.925124 -2.363280 0.008157
C 6.940972 0.559303 0.022473
C -7.387929 0.015647 -0.011604
C 7.060738 -1.851542 0.009646
C 7.710856 -0.591811 0.015955
C -7.319701 -2.396717 0.005607
C -8.057424 -1.206982 -0.004322
H 0.844005 -3.066570 0.021539
H -1.037575 -3.137044 0.021308
H 0.583851 3.727192 -0.003555
H -1.286178 3.656998 -0.017320
H 3.288386 -2.971794 0.023459
H -3.480887 -3.226928 0.017403
H 3.058362 3.805425 0.005322
H -3.758630 3.551038 -0.024952
H 5.163430 -2.898817 0.001646
H -5.368261 -3.300778 0.016016
H 7.418491 1.546964 0.030081
H -7.944092 0.959401 -0.019391
H 8.794712 -0.529180 0.027793
H -7.838249 -3.356060 0.011426
H -9.145638 -1.236537 -0.006280
H 8.803562 -2.979828 -0.134887
H 7.383484 -3.902742 -0.152691


%chk=000117865-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117865

0 1
O 5.390370 2.924533 0.002325
O -6.033431 2.489580 -0.001650
N 7.926287 -3.014414 -0.000739
C 1.227878 0.333253 0.000571
C -1.684293 0.224528 0.000092
C 0.553942 -0.942277 0.000683
C -0.916237 -0.997441 0.000526
C 0.462119 1.557864 0.000342
C -1.012663 1.502945 -0.000132
C 2.675916 0.385352 0.000768
C -3.132282 0.167815 -0.000171
C 3.455410 -0.829809 0.000807
C -3.816822 -1.102209 0.000133
C 3.331497 1.663504 0.001055
C -3.882740 1.393050 -0.000770
C 1.349399 -2.110550 0.001047
C -1.621877 -2.222208 0.000731
C 1.158660 2.790821 0.000662
C -1.800335 2.681371 -0.000848
C 4.934352 -0.761225 0.000662
C 2.756745 -2.054867 0.001068
C -5.293301 -1.145421 -0.000034
C -3.029042 -2.272971 0.000567
C 2.564392 2.841880 0.001081
C -3.204406 2.626922 -0.001156
C 5.584999 0.516697 0.001270
C 4.819185 1.776683 0.001572
C -5.369514 1.395647 -0.001055
C -6.047600 0.071929 -0.000628
C 5.738385 -1.928244 -0.000273
C -6.018763 -2.372695 0.000403
C 7.005107 0.581692 0.001359
C -7.466444 0.044086 -0.000808
C 7.157020 -1.856171 -0.000339
C 7.789483 -0.572212 0.000681
C -7.424644 -2.390997 0.000223
C -8.159428 -1.176733 -0.000395
H 0.878306 -3.096788 0.001371
H -1.077792 -3.169904 0.001013
H 0.608753 3.734640 0.000665
H -1.322639 3.663716 -0.001236
H 3.304162 -3.001220 0.001471
H -3.505263 -3.257168 0.000750
H 3.099941 3.796441 0.001441
H -3.808228 3.539924 -0.001706
H 5.275835 -2.920720 -0.001108
H -5.486823 -3.328293 0.000916
H 7.461349 1.576742 0.001862
H -7.990714 1.004923 -0.001275
H 8.883654 -0.504686 0.000681
H -7.953772 -3.350404 0.000578
H -9.254208 -1.194582 -0.000536
H 8.941163 -2.963219 -0.000481
H 7.493255 -3.933708 -0.002134


