%chk=000299021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299021

0 1
O 4.005078 -0.841074 0.265397
O -2.471896 1.742165 2.317836
O -2.227027 2.392145 0.200236
C -1.380689 0.020865 -1.389303
C 0.037881 -0.226207 -0.909668
C 0.950524 0.880080 -0.749321
C -2.377251 -0.615213 -0.436708
C 2.290653 0.628258 -0.357429
C -1.544334 -0.456307 -2.837754
C 0.474754 -1.507811 -0.661349
C 2.688580 -0.737783 -0.111189
C -2.859412 0.081047 0.691863
C 1.807025 -1.785543 -0.252916
C 0.564743 2.239755 -0.968635
C -2.828611 -1.930733 -0.646154
C 3.211598 1.708217 -0.211591
C 1.464391 3.266779 -0.822152
C -3.742715 -0.543486 1.592794
C 2.809773 3.001159 -0.442955
C -3.717174 -2.538812 0.239594
C -4.174891 -1.847751 1.368114
C -2.481198 1.483141 0.962019
C 4.536001 -2.175834 0.555165
C 5.977697 -1.896832 0.930900
H -1.576748 1.137946 -1.403415
H -1.293681 -1.515499 -2.961412
H -0.875356 0.107630 -3.501301
H -2.569610 -0.305185 -3.193531
H -0.202299 -2.355936 -0.772808
H 2.088238 -2.814576 -0.066356
H -0.479035 2.448496 -1.237478
H -2.479428 -2.486466 -1.517065
H 4.235295 1.473640 0.087613
H 1.158903 4.299019 -0.990307
H -4.084005 0.007560 2.473961
H 3.503798 3.831633 -0.337296
H -4.055355 -3.558941 0.054543
H -4.860850 -2.326407 2.064122
H 3.951824 -2.609174 1.384993
H 4.440643 -2.792369 -0.354904
H 6.512066 -2.820562 1.179349
H 6.515042 -1.401564 0.109851
H 6.040413 -1.222660 1.796860
H -2.215654 2.683491 2.516588


%chk=000299021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299021

0 1
O 4.063451 -0.734748 0.319813
O -2.544837 1.103277 2.907863
O -1.825563 2.050419 0.929907
C -1.456667 0.181316 -1.264990
C -0.011207 -0.037036 -0.771288
C 0.990184 1.001049 -0.917587
C -2.471882 -0.605731 -0.423789
C 2.365246 0.732018 -0.542205
C -1.535825 -0.116621 -2.787370
C 0.384631 -1.274248 -0.254044
C 2.710486 -0.567598 -0.016861
C -2.840385 -0.203026 0.905199
C 1.730780 -1.554088 0.128248
C 0.686270 2.310126 -1.423683
C -3.050896 -1.799131 -0.923490
C 3.361006 1.750171 -0.689929
C 1.673668 3.288426 -1.561167
C -3.738884 -0.994394 1.672318
C 3.025246 3.008250 -1.194852
C -3.951705 -2.575422 -0.161636
C -4.296232 -2.175982 1.148001
C -2.345214 1.066396 1.512140
C 4.479269 -2.042390 0.860035
C 5.978467 -1.953798 1.132963
H -1.700553 1.247076 -1.122287
H -1.212719 -1.145966 -3.026107
H -0.858477 0.566298 -3.329486
H -2.560206 0.034410 -3.175865
H -0.360644 -2.067498 -0.129460
H 1.971812 -2.542686 0.528591
H -0.344989 2.557750 -1.690590
H -2.794883 -2.130764 -1.933652
H 4.387821 1.516306 -0.395806
H 1.408590 4.280568 -1.943454
H -3.994036 -0.661557 2.681565
H 3.793267 3.781814 -1.305111
H -4.378110 -3.489561 -0.590255
H -4.991130 -2.771560 1.749247
H 3.911485 -2.253411 1.789773
H 4.249357 -2.835665 0.118937
H 6.346676 -2.912657 1.541216
H 6.531361 -1.733484 0.203861
H 6.194711 -1.156179 1.864062
H -2.211042 1.979834 3.240027


