%chk=000267358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267358

0 1
O -3.505388 1.181911 -0.435608
O -5.757487 0.584738 -0.559255
O 6.240019 1.147641 -0.688875
C -0.897547 -1.361124 -0.315245
C -1.917588 -0.432518 0.416445
C 0.472430 -1.382894 0.393446
C -2.964593 -0.134882 -0.705208
C -0.855189 -0.843683 -1.771632
C -2.197758 -0.141877 -2.039326
C 1.040470 0.010909 0.583074
C 1.446472 -2.328266 -0.332919
C -1.268736 0.849103 0.881936
C -2.574504 -1.124122 1.614196
C 0.055175 1.036418 0.948956
C 2.365912 0.269738 0.482500
C 2.859959 -2.202913 0.244451
C 3.339553 -0.781819 0.126146
C 2.969706 1.625007 0.752377
C 4.592205 -0.493414 -0.275685
C 4.050540 1.990471 -0.266378
C -4.758338 1.470855 -1.049300
C 5.083741 0.888969 -0.424021
C -6.059463 0.722170 0.844866
H -1.299298 -2.401716 -0.319070
H 0.306685 -1.787118 1.430574
H -3.800894 -0.864095 -0.693062
H -0.682103 -1.667711 -2.481412
H -0.018482 -0.132689 -1.905779
H -2.035502 0.896055 -2.384703
H -2.770647 -0.649275 -2.831000
H 1.473015 -2.097208 -1.416596
H 1.092463 -3.372619 -0.252766
H -1.975767 1.638225 1.153056
H -3.029907 -2.081010 1.337617
H -1.845881 -1.321806 2.409103
H -3.365695 -0.496678 2.044300
H 0.462778 1.995074 1.282416
H 3.544593 -2.906963 -0.269536
H 2.874793 -2.503100 1.314028
H 2.192676 2.418112 0.762060
H 3.406203 1.618211 1.775432
H 5.322757 -1.263288 -0.520975
H 4.552053 2.937147 0.017020
H 3.597115 2.182728 -1.261457
H -4.934954 2.520662 -0.766467
H -4.757863 1.267421 -2.132333
H -5.141967 0.640033 1.437704
H -6.731744 -0.122211 1.033872
H -6.564718 1.674999 1.024436


%chk=000267358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267358

0 1
O -3.787126 1.172415 -0.131759
O -5.948150 0.281570 -0.801451
O 6.583196 0.828791 -0.591379
C -0.916187 -1.215421 -0.267428
C -1.884905 -0.277870 0.519546
C 0.487016 -1.304568 0.389240
C -2.960308 0.029584 -0.566520
C -0.915947 -0.671276 -1.739057
C -2.155109 0.271427 -1.866358
C 1.123703 0.082870 0.527581
C 1.411637 -2.308139 -0.331341
C -1.164207 0.998807 0.922665
C -2.524576 -0.935997 1.768120
C 0.196771 1.155466 0.893456
C 2.491572 0.288513 0.367280
C 2.832582 -2.246012 0.267465
C 3.401130 -0.842008 0.141911
C 3.154046 1.657911 0.509914
C 4.745274 -0.650033 -0.131249
C 4.353430 1.840380 -0.451281
C -4.992052 1.364063 -0.924670
C 5.338117 0.670651 -0.380806
C -6.537581 0.172899 0.541742
H -1.349688 -2.236906 -0.262314
H 0.331465 -1.684753 1.425518
H -3.617581 -0.858629 -0.677251
H -0.962765 -1.504006 -2.462410
H 0.014839 -0.113113 -1.946393
H -1.838790 1.330406 -1.891707
H -2.745604 0.068470 -2.776633
H 1.458048 -2.071065 -1.411779
H 0.998262 -3.330731 -0.236130
H -1.805003 1.830210 1.241482
H -3.067980 -1.858514 1.485918
H -1.761986 -1.199273 2.522953
H -3.243539 -0.242367 2.240425
H 0.611175 2.126953 1.186550
H 3.505167 -2.975393 -0.218301
H 2.778214 -2.521650 1.342165
H 2.432072 2.473743 0.339267
H 3.521551 1.766159 1.552445
H 5.422288 -1.508914 -0.218284
H 4.898040 2.777226 -0.240900
H 3.987804 1.902822 -1.497180
H -5.409862 2.321036 -0.554273
H -4.767852 1.409053 -2.005796
H -5.770123 -0.072422 1.299734
H -7.278219 -0.638881 0.479366
H -7.042957 1.118113 0.829308


