%chk=000236492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236492

0 1
O -4.250420 1.536882 -0.001931
O 4.250758 1.536266 0.000124
O -2.141711 2.353829 0.000505
O 2.142165 2.353517 -0.000546
N 0.000090 0.438227 -0.000452
C -0.726851 -1.770886 -0.000576
C 0.726709 -1.770992 -0.000516
C -1.139036 -0.386394 -0.000533
C 1.139096 -0.386561 -0.000460
C -2.499651 -0.031058 -0.000492
C 2.499763 -0.031422 -0.000321
C -1.689020 -2.774053 -0.000455
C 1.688731 -2.774299 -0.000460
C -3.441177 -1.073513 -0.000291
C 3.441136 -1.074014 -0.000227
C -3.043775 -2.415050 -0.000241
C 3.043539 -2.415494 -0.000292
C -2.879207 1.389181 -0.000493
C 2.879522 1.388762 -0.000298
C -4.745742 2.904041 -0.001913
C 4.746276 2.903354 0.000196
H 0.000165 1.464460 -0.000430
H -1.393245 -3.822787 -0.000417
H 1.392806 -3.822990 -0.000500
H -4.505709 -0.817745 -0.000171
H 4.505705 -0.818401 -0.000087
H -3.803819 -3.195127 -0.000047
H 3.803469 -3.195682 -0.000223
H -4.396134 3.420514 -0.901540
H -4.397884 3.419878 0.898757
H -5.831244 2.761241 -0.003024
H 4.397493 3.419545 0.900304
H 4.397742 3.419573 -0.899995
H 5.831758 2.760398 0.000345


%chk=000236492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236492

0 1
O -4.245718 1.585649 -0.001190
O 4.246060 1.585033 -0.000005
O -2.031007 2.316313 -0.000694
O 2.031456 2.316023 -0.000292
N 0.000082 0.365739 -0.000455
C -0.730074 -1.822482 -0.000489
C 0.729923 -1.822588 -0.000261
C -1.137174 -0.441385 -0.000559
C 1.137222 -0.441549 -0.000247
C -2.507354 -0.066275 -0.000746
C 2.507456 -0.066635 -0.000053
C -1.712398 -2.835457 -0.000601
C 1.712102 -2.835704 -0.000092
C -3.470319 -1.109200 -0.000864
C 3.470270 -1.109699 0.000117
C -3.080133 -2.469850 -0.000786
C 3.079889 -2.470293 0.000099
C -2.864645 1.367306 -0.000817
C 2.864954 1.366893 -0.000022
C -4.659498 3.006779 -0.001345
C 4.660053 3.006101 -0.000156
H 0.000155 1.391861 -0.000486
H -1.425472 -3.893033 -0.000546
H 1.425024 -3.893238 -0.000110
H -4.529134 -0.835779 -0.001015
H 4.529125 -0.836429 0.000269
H -3.849533 -3.248611 -0.000858
H 3.849177 -3.249164 0.000230
H -4.273976 3.518712 -0.899362
H -4.274313 3.518810 0.896759
H -5.758325 2.979956 -0.001553
H 4.274859 3.518206 0.897903
H 4.274692 3.518075 -0.898217
H 5.758875 2.979113 -0.000253


