%chk=000296418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296418

0 1
O 2.871056 -1.717541 0.024011
O -1.385912 -0.314888 0.166288
O -2.611505 -1.801915 -1.067914
O 3.684657 2.711492 0.103563
O 1.441989 2.903935 0.339435
N -0.427286 -2.304750 -0.375270
N 1.443295 0.060706 -0.157431
C 0.555761 -2.067661 0.726016
C 1.002166 -3.459960 1.219455
C 0.092850 -4.491810 0.530586
C -0.532546 -3.770972 -0.673509
C 1.745598 -1.266655 0.142804
C 2.435445 0.936079 -0.802571
C 2.168191 1.185536 -2.318424
C -1.597617 -1.534524 -0.458979
C 2.428472 -0.101751 -3.101484
C 0.757266 1.714989 -2.579260
C 2.395036 2.272802 -0.054324
C -2.449800 0.693892 0.035929
C -2.475829 1.386794 1.365762
C 3.876993 3.978065 0.790309
C -3.532638 1.152681 2.258357
C -1.441873 2.266421 1.718291
C -3.559611 1.807377 3.492424
C -1.472869 2.914846 2.956077
C -2.530863 2.688775 3.842136
H 0.094524 -1.474964 1.561176
H 2.068873 -3.639233 0.957462
H 0.939158 -3.530572 2.317643
H -0.686869 -4.854983 1.224099
H 0.665773 -5.380298 0.212809
H -1.584353 -4.071986 -0.862526
H 0.043597 -3.955417 -1.607574
H 3.463657 0.473368 -0.686696
H 0.470592 0.399122 -0.152837
H 2.907960 1.960211 -2.650975
H 2.297979 0.055610 -4.177880
H 3.446290 -0.479132 -2.942770
H 1.742267 -0.906131 -2.804848
H -0.005648 0.942080 -2.426293
H 0.507033 2.561577 -1.926375
H 0.654220 2.059543 -3.615078
H -2.124487 1.346980 -0.794036
H -3.401022 0.195248 -0.233587
H 3.234022 4.747265 0.351031
H 3.652187 3.841276 1.852402
H 4.939474 4.182977 0.620358
H -4.331565 0.461746 1.993083
H -0.605320 2.445892 1.033795
H -4.381923 1.629219 4.183145
H -0.668102 3.597388 3.226679
H -2.553943 3.197455 4.804313


%chk=000296418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296418

0 1
O 2.961690 -1.944414 -0.164344
O -1.159429 -0.070698 0.233383
O -2.633414 -1.477897 -0.966588
O 3.595024 2.963850 -0.372443
O 1.463478 2.604451 0.487402
N -0.548502 -2.241449 -0.195681
N 1.582922 -0.065676 -0.274128
C 0.633422 -2.111517 0.712827
C 0.993062 -3.578428 1.083217
C -0.190507 -4.446879 0.574254
C -0.738554 -3.648585 -0.629088
C 1.842827 -1.378935 0.041336
C 2.591404 0.831880 -0.837025
C 2.489042 1.007635 -2.400634
C -1.539679 -1.306338 -0.366318
C 2.713438 -0.348579 -3.104399
C 1.146300 1.642824 -2.830089
C 2.460890 2.193373 -0.152762
C -2.169143 1.044217 0.194516
C -2.451377 1.510871 1.603211
C 3.570663 4.337891 0.191296
C -3.632627 1.104942 2.273154
C -1.526411 2.356076 2.270656
C -3.890448 1.536370 3.594145
C -1.783658 2.784733 3.591381
C -2.965702 2.377951 4.255234
H 0.329770 -1.513569 1.592074
H 1.937749 -3.838643 0.574788
H 1.155703 -3.687855 2.167884
H -0.974846 -4.536360 1.347760
H 0.131620 -5.462926 0.290295
H -1.803422 -3.823181 -0.848718
H -0.150513 -3.848393 -1.545871
H 3.587603 0.405947 -0.615200
H 0.648041 0.305788 -0.039736
H 3.314473 1.694526 -2.675820
H 2.736866 -0.208694 -4.200788
H 3.659469 -0.820343 -2.786821
H 1.894721 -1.051707 -2.867300
H 0.294980 0.999527 -2.537280
H 0.990870 2.643274 -2.385133
H 1.114725 1.755353 -3.928800
H -1.692120 1.833311 -0.411840
H -3.064441 0.658342 -0.321670
H 2.714102 4.901911 -0.214169
H 3.491460 4.293839 1.290175
H 4.525186 4.783337 -0.120219
H -4.346999 0.450514 1.758741
H -0.606147 2.661596 1.758317
H -4.807737 1.221280 4.104034
H -1.065986 3.436170 4.102807
H -3.165039 2.715490 5.278775


