%chk=000247277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247277

0 1
O -2.261589 -0.067262 0.014792
O 4.151114 0.422825 1.860121
O -3.576007 3.778199 0.572846
O -4.203171 1.694444 -0.007233
O 2.416035 -0.916023 1.177190
O -0.805286 -1.670034 -0.718518
N 2.171697 1.408180 1.539937
C 0.801903 1.606932 1.225271
C -1.349663 0.861048 0.455423
C -1.904716 2.149955 0.655272
C -0.010582 0.578075 0.733456
C 0.279870 2.910299 1.430616
C -1.053544 3.160835 1.146937
C 5.615397 -0.800788 0.361657
C 5.085592 -0.705659 1.762437
C -3.314035 2.428912 0.362807
C -3.209441 -2.028325 -0.830736
C 2.846524 0.172668 1.473429
C 4.870925 -1.468104 -0.622818
C 6.851942 -0.226755 0.034238
C -1.942236 -1.330355 -0.541807
C 5.366761 -1.566106 -1.924918
C 7.345084 -0.330458 -1.269710
C -3.136871 -3.376878 -1.227960
C -4.450694 -1.383288 -0.724665
C 6.604526 -1.000202 -2.249017
C -4.309826 -4.073717 -1.513708
C -5.620581 -2.091429 -1.014822
C -5.550947 -3.430919 -1.406834
C -4.939026 4.211432 0.327875
H 0.394832 -0.432595 0.558642
H 0.911750 3.709656 1.808612
H -1.468365 4.164256 1.304198
H 2.721546 2.225288 1.832778
H 4.570523 -1.629021 2.091270
H 5.844334 -0.402724 2.509094
H 3.897150 -1.900292 -0.370255
H 7.428532 0.302963 0.790628
H 4.785763 -2.082639 -2.688101
H 8.306283 0.113494 -1.522926
H -2.163169 -3.866215 -1.310151
H -4.493805 -0.324609 -0.416314
H 6.990033 -1.079265 -3.264260
H -4.261895 -5.117369 -1.820681
H -6.585883 -1.592541 -0.933761
H -6.465454 -3.980471 -1.631814
H -5.215045 3.993110 -0.708802
H -5.614407 3.702079 1.022333
H -4.885271 5.287493 0.520855


%chk=000247277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247277

0 1
O -2.375629 -0.098013 0.082087
O 4.176188 0.467981 1.782281
O -3.612129 3.921772 0.595304
O -4.352108 1.773268 0.126608
O 2.400903 -0.947112 1.135940
O -0.926526 -1.812461 -0.664432
N 2.142155 1.387656 1.469747
C 0.772954 1.604807 1.194404
C -1.443940 0.873312 0.491285
C -1.974652 2.190697 0.675654
C -0.088355 0.571581 0.748249
C 0.273870 2.924282 1.374762
C -1.073982 3.198760 1.117981
C 5.760340 -0.810785 0.338864
C 5.122634 -0.702526 1.706255
C -3.402121 2.534845 0.432431
C -3.351078 -2.080965 -0.792787
C 2.846150 0.188620 1.425376
C 5.110462 -1.525388 -0.701692
C 7.013098 -0.198279 0.081047
C -2.081443 -1.374289 -0.475948
C 5.703672 -1.617301 -1.980003
C 7.608088 -0.292085 -1.196928
C -3.260494 -3.422884 -1.250792
C -4.617789 -1.450689 -0.658874
C 6.953117 -1.001881 -2.230394
C -4.432705 -4.137076 -1.567386
C -5.785292 -2.174841 -0.981372
C -5.697451 -3.513833 -1.432031
C -5.004181 4.372291 0.385117
H 0.296430 -0.435620 0.594016
H 0.940255 3.724011 1.718120
H -1.465394 4.208238 1.258536
H 2.702105 2.200097 1.737986
H 4.550023 -1.609210 1.966613
H 5.859630 -0.470808 2.490665
H 4.139046 -1.992947 -0.504912
H 7.521439 0.353138 0.881935
H 5.194620 -2.169165 -2.777844
H 8.577522 0.182311 -1.386280
H -2.270569 -3.881042 -1.349430
H -4.665634 -0.411323 -0.318190
H 7.413861 -1.076539 -3.221964
H -4.365132 -5.172650 -1.917778
H -6.764614 -1.693966 -0.883190
H -6.609398 -4.069589 -1.679033
H -5.337839 4.127856 -0.637636
H -5.680571 3.885892 1.108534
H -4.972929 5.459953 0.542003


