%chk=000186441.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186441

0 1
O 0.319278 1.442194 0.602935
O 3.401988 -3.285214 0.641339
O 0.314279 -0.590436 1.614026
O -1.559721 -3.145123 -0.994802
O 0.132858 -1.738433 -1.399383
C 2.657015 1.589340 -0.134274
C 2.670700 0.167225 -0.724171
C 2.304680 2.614129 -1.232723
C 1.690078 1.712637 1.052598
C 3.164158 -0.885143 0.272164
C 2.700114 4.039259 -0.856479
C 3.126217 -2.283002 -0.351628
C -0.233392 0.231724 0.917032
C -1.608983 0.160502 0.329875
C -1.985609 -0.880127 -0.535937
C -2.544231 1.134368 0.698595
C -3.306318 -0.959464 -0.998548
C -3.858036 1.058232 0.222516
C -4.239904 0.010287 -0.618853
C -1.000253 -1.890282 -1.004959
H 3.681336 1.819144 0.257921
H 1.650459 -0.103036 -1.078076
H 3.310277 0.150945 -1.628300
H 2.804939 2.332803 -2.180219
H 1.215795 2.563877 -1.441154
H 1.948580 1.028089 1.880768
H 1.602519 2.750861 1.419281
H 2.524373 -0.877477 1.182387
H 4.188086 -0.655364 0.619809
H 3.776127 4.126516 -0.667905
H 2.176349 4.384744 0.041763
H 2.453397 4.739628 -1.663417
H 2.144253 -2.502363 -0.815126
H 3.931971 -2.443402 -1.089619
H 2.754975 -3.224713 1.371452
H -2.243108 1.954683 1.354099
H -3.601420 -1.785837 -1.650760
H -4.583735 1.819710 0.512323
H -5.266620 -0.054738 -0.981477
H -0.918173 -3.849539 -1.293573


%chk=000186441-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186441

0 1
O 0.327175 1.443750 0.503778
O 3.770648 -3.382503 0.321765
O 0.155497 -0.606488 1.623195
O -2.007260 -3.388937 -0.639908
O -0.079882 -2.122475 -0.883694
C 2.740771 1.615781 -0.095392
C 2.824543 0.212097 -0.754619
C 2.491076 2.712866 -1.167767
C 1.707817 1.669136 1.047218
C 3.282862 -0.929115 0.182404
C 2.574047 4.163383 -0.643516
C 3.391630 -2.268672 -0.569445
C -0.314755 0.254841 0.844417
C -1.680921 0.192332 0.219089
C -2.198801 -1.015700 -0.334303
C -2.519458 1.328190 0.310996
C -3.555855 -1.075191 -0.737501
C -3.866633 1.264905 -0.108449
C -4.390213 0.056757 -0.620265
C -1.303793 -2.176095 -0.623230
H 3.719431 1.829185 0.392272
H 1.839231 -0.047187 -1.190945
H 3.532254 0.282119 -1.606188
H 3.241565 2.577603 -1.971886
H 1.499617 2.539654 -1.629605
H 1.904684 0.909792 1.822657
H 1.664443 2.670169 1.506554
H 2.554096 -1.052891 1.007824
H 4.265039 -0.686999 0.635952
H 3.540303 4.351977 -0.137338
H 1.764561 4.390674 0.074211
H 2.484722 4.885896 -1.475227
H 2.433208 -2.487015 -1.082653
H 4.201524 -2.237255 -1.318806
H 3.069319 -3.468877 1.016467
H -2.110356 2.253800 0.725921
H -3.939152 -2.010014 -1.155231
H -4.503848 2.151800 -0.027274
H -5.436674 -0.001609 -0.936851
H -1.377167 -4.122481 -0.875128


