%chk=000258728.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258728

0 1
O -0.143754 -2.309568 -1.625690
O 5.445137 0.175396 0.583559
N 2.886279 -1.063302 0.286243
C -1.177135 -0.153303 -1.160493
C 0.072858 -1.063008 -0.950356
C 0.421305 -1.298243 0.524060
C -2.390979 -0.673745 -0.431103
C -0.832823 1.270126 -0.794875
C 1.779700 -2.003775 0.663433
C -2.809403 -0.112820 0.788931
C -1.256205 1.835563 0.420948
C -2.070002 1.041615 1.404772
C 3.135603 -0.052301 1.365782
C 4.148847 -1.821860 -0.000370
C -3.120490 -1.736646 -0.987469
C -0.068364 2.039748 -1.686138
C 4.239981 0.905786 0.893379
C 5.231917 -0.822066 -0.436486
C -3.932969 -0.637290 1.446693
C -0.907233 3.159387 0.731351
C -4.236449 -2.253877 -0.327802
C 0.276975 3.354613 -1.369923
C -4.640817 -1.706005 0.893903
C -0.142721 3.915087 -0.158865
H -1.403194 -0.187515 -2.263937
H 0.948974 -0.647736 -1.508669
H -0.364731 -1.900252 1.017317
H 0.435074 -0.323751 1.054513
H 1.887510 -2.415309 1.688967
H 1.802535 -2.871345 -0.037797
H -2.789655 1.713250 1.924215
H -1.397920 0.656701 2.206166
H 3.425637 -0.513563 2.333844
H 2.193722 0.514015 1.535474
H 3.945853 -2.536848 -0.826746
H 4.509287 -2.411059 0.869597
H -2.816805 -2.155618 -1.947943
H 0.261219 1.608325 -2.631012
H 3.929244 1.479833 0.002464
H 4.574592 1.587245 1.694072
H 6.226499 -1.292907 -0.519731
H 4.963598 -0.316566 -1.381056
H -4.259518 -0.206889 2.391698
H -1.235993 3.602559 1.669362
H -0.813310 -2.852160 -1.163656
H -4.794348 -3.078720 -0.767000
H 0.871130 3.943156 -2.066397
H -5.510731 -2.107457 1.410285
H 0.123872 4.940998 0.087987


%chk=000258728-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258728

0 1
O -0.090443 -2.423114 -1.354128
O 5.609637 0.114316 0.219220
N 2.961842 -1.077333 0.355074
C -1.131196 -0.152537 -1.095163
C 0.105020 -1.081115 -0.771467
C 0.475166 -1.188476 0.721077
C -2.423779 -0.686418 -0.489153
C -0.837521 1.287726 -0.692056
C 1.843209 -1.880763 0.908598
C -2.934891 -0.160537 0.729089
C -1.351194 1.830188 0.516522
C -2.224453 0.985702 1.435067
C 3.329217 0.081930 1.206765
C 4.162895 -1.898138 0.055996
C -3.129376 -1.733248 -1.140716
C -0.014739 2.093830 -1.519026
C 4.414279 0.922340 0.513856
C 5.233533 -1.031540 -0.626741
C -4.122360 -0.705495 1.276522
C -1.033656 3.165847 0.867707
C -4.305844 -2.278981 -0.581641
C 0.306380 3.419361 -1.158710
C -4.801516 -1.766511 0.639293
C -0.206570 3.959476 0.044416
H -1.218965 -0.202010 -2.198836
H 0.980897 -0.687331 -1.316080
H -0.301447 -1.767110 1.261866
H 0.496380 -0.178268 1.169991
H 2.001696 -2.113513 1.992134
H 1.816679 -2.842878 0.363588
H -2.968355 1.630368 1.940351
H -1.593158 0.569957 2.250814
H 3.706080 -0.253807 2.206992
H 2.439530 0.716532 1.373465
H 3.870611 -2.723340 -0.620505
H 4.598651 -2.348521 0.984107
H -2.768298 -2.093759 -2.111330
H 0.371319 1.675465 -2.456961
H 4.005572 1.347140 -0.428719
H 4.764832 1.738344 1.167378
H 6.165532 -1.598983 -0.785881
H 4.846144 -0.664988 -1.602067
H -4.521665 -0.288904 2.209901
H -1.441888 3.587440 1.794928
H -0.876548 -2.838991 -0.910187
H -4.837413 -3.084992 -1.099464
H 0.941445 4.028706 -1.811199
H -5.717537 -2.175743 1.079578
H 0.028064 4.990577 0.331236


