%chk=000245126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245126

0 1
O 6.050584 2.713622 -1.337476
O 5.830435 -2.422141 1.499370
O -6.547407 1.310434 0.450716
N 4.209012 -0.177593 0.203482
N -5.484990 -0.599183 -0.294535
C 0.555962 -0.729954 -0.220790
C -0.576037 -1.651016 -0.621165
C 0.033661 0.503267 0.274868
C -1.807340 -0.829066 -0.310666
C -1.428574 0.444725 0.220037
C 2.803640 0.055019 0.147713
C 1.915655 -0.963355 -0.293961
C 0.902714 1.497496 0.701677
C 2.282972 1.274787 0.634650
C -3.134272 -1.170265 -0.479207
C -2.400814 1.366740 0.577764
C 5.106471 1.000674 0.095810
C 4.754469 -1.405477 -0.442769
C -4.118311 -0.213893 -0.107840
C -3.754292 1.035281 0.412484
C 5.073182 1.669669 -1.292905
C 4.743541 -2.559570 0.578176
C -6.623665 0.187565 -0.002927
C -7.925112 -0.502312 -0.309728
H -0.557937 -2.596817 -0.047040
H -0.524298 -1.927291 -1.691051
H 2.285496 -1.906917 -0.680238
H 0.521113 2.442200 1.085890
H 2.954604 2.053905 0.987898
H -3.414421 -2.137602 -0.881844
H -2.127761 2.339341 0.983455
H 6.148883 0.685807 0.334463
H 4.829836 1.736072 0.886106
H 5.806764 -1.234380 -0.768866
H 4.190625 -1.691375 -1.357271
H -4.524155 1.762470 0.694285
H 4.074550 2.069208 -1.541826
H 5.404580 0.984966 -2.096227
H 4.951078 -3.530929 0.091320
H 3.794026 -2.612989 1.141601
H -5.627930 -1.536074 -0.675646
H 5.769151 3.473429 -0.789949
H 5.714782 -1.600531 2.025790
H -8.029744 -0.752608 -1.373382
H -8.766531 0.165852 -0.056191
H -8.064194 -1.421195 0.274446


%chk=000245126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245126

0 1
O 6.400486 2.823118 -0.906812
O 5.662107 -2.178849 1.615972
O -6.725225 1.374789 0.431790
N 4.223755 -0.191790 -0.068639
N -5.575003 -0.577964 -0.194145
C 0.519239 -0.754299 -0.253702
C -0.638133 -1.704303 -0.555395
C 0.008963 0.513947 0.155295
C -1.866711 -0.842154 -0.277284
C -1.461020 0.463406 0.141697
C 2.829463 0.036456 -0.007994
C 1.895429 -1.002255 -0.332816
C 0.918160 1.543267 0.480444
C 2.304530 1.308477 0.395285
C -3.222849 -1.170746 -0.383314
C -2.440504 1.431428 0.453661
C 5.188741 0.907443 0.129880
C 4.765298 -1.463705 -0.591769
C -4.208141 -0.189099 -0.067894
C -3.811826 1.111832 0.351037
C 5.352522 1.814416 -1.117962
C 4.820261 -2.575631 0.481123
C -6.731390 0.169356 0.044579
C -8.025328 -0.609310 -0.206855
H -0.610737 -2.605047 0.089157
H -0.613854 -2.062898 -1.603357
H 2.243951 -1.991158 -0.643508
H 0.560464 2.530648 0.793959
H 2.983583 2.128643 0.644411
H -3.531453 -2.174510 -0.706397
H -2.151282 2.437690 0.776968
H 6.175075 0.474098 0.371076
H 4.895189 1.521044 1.004504
H 5.797521 -1.275423 -0.936427
H 4.188557 -1.813280 -1.471894
H -4.582915 1.846757 0.587421
H 4.385362 2.280305 -1.395905
H 5.709194 1.217675 -1.973870
H 5.303640 -3.475340 0.063801
H 3.801699 -2.845146 0.826734
H -5.724518 -1.541601 -0.503620
H 6.084754 3.494725 -0.251104
H 5.238855 -1.390263 2.043623
H -8.090536 -0.955941 -1.255155
H -8.876947 0.054735 -0.001639
H -8.098424 -1.493550 0.453541


