%chk=000184770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184770

0 1
O 0.172235 1.142003 -1.435752
O 7.570168 -1.540392 -0.159845
O -4.202761 0.239341 1.647004
O 6.477710 1.904525 -0.522719
O -1.214907 -1.887748 2.535675
O -3.321520 -2.358275 -1.591359
N -1.550927 1.848417 -0.178966
N -1.166972 -1.255993 0.336959
N -4.064514 0.512248 -0.606518
N -3.927066 -2.381539 0.619311
C -2.529811 1.817476 0.927977
C -3.117512 3.243485 0.991262
C -1.727202 3.063970 -1.037570
C -2.864105 3.871506 -0.390913
C -0.203847 -0.159931 0.586544
C -0.490218 0.971335 -0.426137
C 1.253648 -0.637015 0.426481
C -3.659807 0.789405 0.697433
C 2.241574 0.368245 1.030207
C 3.690837 -0.097598 0.835327
C 4.675402 0.842737 1.542904
C 7.459062 -0.222222 -0.777693
C 6.130870 0.411932 1.333471
C -4.936477 -0.663631 -0.875987
C 6.783258 -1.417905 -1.385339
C 6.644865 0.817168 -0.023808
C -1.610367 -2.056283 1.399286
C -2.694559 -3.082776 1.026836
C -3.998452 -1.889499 -0.693243
C -5.496295 -0.620506 -2.287898
H -2.033846 1.530593 1.894988
H -2.613922 3.825361 1.786189
H -4.191105 3.238859 1.251518
H -0.771110 3.631153 -1.073815
H -1.954743 2.759542 -2.080340
H -2.596057 4.938796 -0.300232
H -3.777868 3.834638 -1.011147
H -0.353125 0.209303 1.642664
H 1.368706 -1.622941 0.920795
H 1.483115 -0.795128 -0.648654
H 2.105557 1.361201 0.554399
H 2.030785 0.505685 2.108866
H 3.813299 -1.129073 1.219510
H 3.923473 -0.142249 -0.246701
H -1.318596 -1.536636 -0.636884
H 4.455967 0.871331 2.628287
H 4.540351 1.883024 1.176105
H -3.585286 0.918087 -1.408890
H 8.397927 0.158188 -1.197751
H 6.779853 0.882225 2.104132
H 6.247689 -0.684363 1.491513
H -5.771615 -0.677459 -0.122316
H 5.715208 -1.581166 -1.252369
H 7.216895 -1.911640 -2.253199
H -2.347203 -3.767232 0.215505
H -2.907629 -3.720121 1.918438
H -6.010838 0.325401 -2.497506
H -6.221892 -1.431545 -2.445599
H -4.710855 -0.761201 -3.048213
H -4.381746 -1.849810 1.381373


%chk=000184770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184770

0 1
O 0.023862 1.534942 -1.416543
O 8.688266 -1.012153 0.527539
O -4.606673 0.258361 1.705618
O 6.229731 1.041086 -1.371400
O -1.223755 -1.813471 2.487223
O -3.303749 -2.258948 -1.743309
N -1.816941 1.910065 -0.081477
N -1.260552 -1.158900 0.246440
N -4.169160 0.491797 -0.571058
N -3.967250 -2.326109 0.495157
C -2.731451 1.704319 1.068508
C -3.220109 3.144309 1.393485
C -2.048554 3.232806 -0.748767
C -3.267714 3.823820 0.000575
C -0.295160 -0.054763 0.446457
C -0.682554 1.173987 -0.424062
C 1.161920 -0.497819 0.170486
C -3.918547 0.762002 0.758702
C 2.214339 0.499196 0.703704
C 3.657566 -0.026542 0.540688
C 4.713988 0.957258 1.093521
C 7.940335 -0.467376 -0.670289
C 6.153491 0.413273 1.003307
C -5.028471 -0.657500 -0.974278
C 7.930742 -1.945660 -0.367015
C 6.713637 0.377850 -0.413279
C -1.653946 -1.966192 1.304693
C -2.738731 -3.013974 0.941931
C -4.072514 -1.871403 -0.802579
C -5.540084 -0.507096 -2.408014
H -2.215078 1.247777 1.930677
H -2.476424 3.641299 2.042161
H -4.189090 3.139288 1.917546
H -1.138314 3.850866 -0.638317
H -2.216201 3.103460 -1.832303
H -3.209642 4.922443 0.065872
H -4.207860 3.565196 -0.519176
H -0.370615 0.208488 1.520798
H 1.301342 -1.479429 0.663644
H 1.301309 -0.634912 -0.918171
H 2.114308 1.461581 0.166851
H 2.021277 0.697704 1.779805
H 3.751898 -1.001485 1.065152
H 3.858352 -0.213654 -0.532467
H -1.537061 -1.426998 -0.707102
H 4.483951 1.184344 2.153416
H 4.650761 1.908879 0.532369
H -3.485541 0.829640 -1.256909
H 8.578398 -0.111896 -1.489485
H 6.853839 1.045566 1.590353
H 6.240133 -0.589686 1.465510
H -5.858961 -0.709573 -0.249539
H 7.036089 -2.397559 0.080039
H 8.547421 -2.607980 -0.985862
H -2.396681 -3.673393 0.126004
H -2.946277 -3.611410 1.841669
H -6.076984 0.449202 -2.530284
H -6.232888 -1.330917 -2.650187
H -4.704169 -0.558978 -3.127346
H -4.505553 -1.819727 1.212914


