%chk=000299674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299674

0 1
O -1.225747 4.622118 -0.198645
O -2.369377 0.995263 -1.881367
O 0.419984 4.986723 1.277232
O -4.390967 -2.229922 1.397157
O -2.662722 -3.184831 2.716064
O 1.104070 -2.517213 -0.337388
O 4.969925 0.457491 0.441096
O 3.972150 -2.050926 -0.683659
O -0.970121 0.371588 -3.549171
C -1.364894 2.245318 -0.110706
C 0.025989 2.690922 0.391893
C -1.284774 0.927351 -0.896634
C 0.529512 1.904321 1.602265
C -1.850006 3.484784 -0.884388
C -1.568816 -0.226976 0.038146
C -0.167843 4.189111 0.604447
C 1.414248 0.788968 1.101189
C -0.542923 -0.802022 0.799223
C 0.880745 -0.429659 0.648845
C -2.919693 -0.649272 0.167831
C 2.793223 1.024669 1.045052
C -0.823870 -1.821986 1.755543
C 1.755225 -1.387071 0.059925
C -3.171055 -1.642984 1.079611
C -2.132118 -2.219894 1.871355
C 3.651862 0.068567 0.487764
C 3.136601 -1.125758 -0.062474
C -2.089653 0.640796 -3.190806
C -4.102030 -3.220883 2.436932
C -3.353527 0.689551 -3.972014
C 1.866908 -3.627275 -0.882921
C 5.970966 -0.548718 0.759236
C 4.349372 -1.634392 -2.031204
H -2.051050 2.095394 0.764245
H 0.781511 2.598957 -0.439886
H -0.318197 0.798493 -1.442863
H -0.310673 1.508247 2.209352
H 1.088529 2.578215 2.290481
H -1.517705 3.521725 -1.932854
H -2.931876 3.669535 -0.811026
H -3.703040 -0.197590 -0.439863
H 3.221749 1.951077 1.427645
H -0.024896 -2.267488 2.343837
H -4.341204 -4.213384 2.033305
H -4.629045 -2.915272 3.350189
H -4.197436 1.095420 -3.391114
H -3.640473 -0.321785 -4.306192
H -3.233702 1.306305 -4.877101
H 2.199464 -3.375584 -1.893217
H 1.113123 -4.423975 -0.888760
H 2.717248 -3.871372 -0.236830
H 5.803426 -1.481368 0.208970
H 5.951599 -0.719702 1.839671
H 6.897103 -0.052622 0.448111
H 3.458492 -1.538505 -2.657508
H 4.987460 -2.460364 -2.359151
H 4.901047 -0.689720 -1.989472


%chk=000299674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299674

0 1
O -1.366514 4.649380 -0.057926
O -2.476224 0.893049 -1.927246
O 0.217521 4.890930 1.634584
O -4.409012 -2.334973 1.517158
O -2.588601 -3.412153 2.652953
O 1.215228 -2.582563 -0.662370
O 5.042379 0.437126 0.138224
O 4.008248 -2.044623 -0.948583
O -0.935134 1.422169 -3.605886
C -1.446827 2.256812 -0.127506
C -0.076384 2.695667 0.445421
C -1.384721 0.914107 -0.894556
C 0.538387 1.837234 1.575913
C -1.833610 3.517985 -0.931364
C -1.617536 -0.266843 0.041404
C -0.337848 4.169561 0.793741
C 1.427558 0.744158 0.990819
C -0.532296 -0.897581 0.714678
C 0.903314 -0.498356 0.524025
C -2.964361 -0.682209 0.271959
C 2.813543 1.006408 0.874753
C -0.788737 -1.970774 1.625049
C 1.790139 -1.432780 -0.093711
C -3.176882 -1.726578 1.165542
C -2.107583 -2.360517 1.831703
C 3.686484 0.076265 0.278038
C 3.171561 -1.137873 -0.250918
C -2.098583 1.116537 -3.262392
C -4.070992 -3.288355 2.607876
C -3.283674 0.915969 -4.179321
C 1.790669 -3.893265 -0.287751
C 6.022939 -0.499665 0.736860
C 4.394631 -1.556282 -2.297646
H -2.163752 2.154032 0.710765
H 0.649455 2.724881 -0.398114
H -0.421387 0.828075 -1.430094
H -0.270534 1.415111 2.199798
H 1.138748 2.504475 2.220758
H -1.303079 3.583384 -1.898434
H -2.914587 3.656774 -1.072263
H -3.789285 -0.209347 -0.263843
H 3.237567 1.942036 1.253221
H 0.036168 -2.462609 2.146148
H -4.505430 -4.271947 2.371962
H -4.427297 -2.875670 3.570382
H -4.189899 1.379501 -3.756516
H -3.484467 -0.165383 -4.286615
H -3.063358 1.337997 -5.170514
H 2.860631 -3.941836 -0.547312
H 1.212547 -4.630358 -0.865162
H 1.648459 -4.073910 0.795399
H 5.919604 -1.510160 0.304812
H 5.883265 -0.539910 1.833684
H 7.009605 -0.073475 0.500703
H 3.494219 -1.427211 -2.925403
H 5.043166 -2.338706 -2.720577
H 4.944659 -0.601315 -2.216912


