%chk=000245411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245411

0 1
O 4.200995 -1.092608 -0.582618
O -4.197369 1.073248 -0.621237
O 4.488777 -0.326496 1.526656
O -4.490258 0.362552 1.506643
C 0.450696 -0.628231 -0.317514
C -0.447695 0.616056 -0.335997
C 1.932893 -0.240733 -0.339556
C -1.929843 0.228048 -0.350942
C 2.823601 -1.478818 -0.291262
C -2.820655 1.466924 -0.336630
C 6.321988 -0.237465 -0.109368
C -6.319486 0.230590 -0.131037
C 4.946518 -0.516614 0.425517
C -4.945404 0.523778 0.399835
C 6.944856 0.982622 0.580826
C -6.951206 -0.960208 0.600942
C 8.381133 1.208715 0.122587
C -8.386218 -1.197050 0.144198
H 0.214339 -1.276085 -1.184169
H 0.231537 -1.233238 0.585148
H -0.230712 1.246037 0.549948
H -0.209201 1.239467 -1.219830
H 2.174055 0.419262 0.520814
H 2.167877 0.351489 -1.246047
H -2.172799 -0.409398 0.525771
H -2.162956 -0.387507 -1.242248
H 2.794244 -1.985532 0.688983
H 2.624661 -2.193905 -1.109305
H -2.793612 1.998698 0.630315
H -2.619785 2.160738 -1.172315
H 6.953496 -1.139436 0.048006
H 6.288737 -0.095123 -1.211220
H -6.947844 1.140473 -0.011008
H -6.281317 0.047117 -1.226626
H 6.910342 0.844285 1.682674
H 6.333054 1.883806 0.374224
H -6.921373 -0.781164 1.697039
H -6.342388 -1.871075 0.431218
H 9.025236 0.354602 0.362632
H 8.443717 1.374376 -0.959232
H 8.814934 2.089268 0.612501
H -9.027647 -0.331804 0.348920
H -8.444251 -1.402749 -0.930980
H -8.826364 -2.056812 0.664445


%chk=000245411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245411

0 1
O 4.339384 -0.789223 -0.890522
O -4.404558 0.759916 -1.048290
O 4.414503 -0.456119 1.419519
O -4.477323 0.828361 1.284283
C 0.476283 -0.566981 -0.807360
C -0.538507 0.592790 -0.926507
C 1.943998 -0.083008 -0.859057
C -2.003892 0.102256 -0.870173
C 2.926014 -1.258984 -0.771323
C -2.997119 1.263210 -1.012065
C 6.409612 0.007605 0.021822
C -6.465233 0.102558 0.000253
C 4.976168 -0.414875 0.300635
C -5.037459 0.586678 0.189572
C 7.085986 0.693303 1.226403
C -6.939623 -0.820745 1.146223
C 8.561237 1.039577 0.937055
C -8.431923 -1.186654 1.010379
H 0.294748 -1.295212 -1.625420
H 0.297823 -1.109666 0.143370
H -0.357841 1.320555 -0.109077
H -0.362228 1.136131 -1.878233
H 2.138018 0.612313 -0.020607
H 2.123833 0.472485 -1.800092
H -2.187734 -0.414203 0.090725
H -2.184776 -0.630123 -1.681121
H 2.810647 -1.798516 0.186427
H 2.806497 -1.954664 -1.618922
H -2.896082 1.976401 -0.173648
H -2.879201 1.786036 -1.975967
H 6.975877 -0.900410 -0.270060
H 6.414932 0.661571 -0.870533
H -7.116976 1.000014 -0.038250
H -6.551705 -0.390675 -0.983673
H 7.012809 0.030549 2.108118
H 6.525082 1.610793 1.487176
H -6.752529 -0.315870 2.111549
H -6.325300 -1.741926 1.151617
H 9.148650 0.129661 0.709817
H 8.652607 1.722917 0.071526
H 9.030686 1.533879 1.806663
H -9.068335 -0.281991 1.043637
H -8.634788 -1.705472 0.054452
H -8.752961 -1.854141 1.830379


