%chk=000251178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251178

0 1
O 0.255059 0.096044 -0.919376
O -0.193235 2.263607 1.903528
O 0.124203 3.724418 -0.340419
O 2.738820 1.962967 -2.151027
O -3.721347 -0.939246 1.644836
O 2.876421 0.941074 1.563551
O -8.353546 -1.979711 0.010221
O -7.053949 -1.973084 -1.813534
N -2.708946 0.290794 0.019410
N 0.660209 -0.582587 1.346299
N 1.921509 -1.084855 0.938052
N 6.202275 -2.078804 0.581851
C -1.484173 0.478203 0.821903
C -1.078131 1.972855 0.832694
C -0.408374 2.412931 -0.494178
C -0.358170 -0.432954 0.250877
C 0.750886 1.463410 -0.857007
C 1.338566 1.680403 -2.258278
C -3.788708 -0.444387 0.534215
C -4.979944 -0.554264 -0.394707
C -6.170755 -1.171718 0.336386
C 2.989152 -0.134473 1.015640
C 4.248117 -0.663318 0.412988
C -7.165260 -1.730365 -0.634840
C 4.674978 -0.183421 -0.832567
C 5.038848 -1.607528 1.095175
C 5.873405 -0.664635 -1.363302
C 6.608654 -1.609660 -0.628193
H -1.706149 0.178150 1.893295
H -1.956961 2.625202 1.063557
H -1.144471 2.515473 -1.319952
H -0.755965 -1.402678 -0.146346
H 1.553236 1.533908 -0.083129
H -2.689693 0.634698 -0.935167
H 0.838157 2.496511 -2.808722
H 1.307497 0.744545 -2.855082
H 0.304435 -1.192010 2.109905
H 0.592737 1.633026 1.929557
H 0.480823 3.838225 0.587369
H 1.922246 -1.727007 0.131480
H -4.714039 -1.178346 -1.282171
H -5.259668 0.436973 -0.810796
H 2.874691 2.860324 -1.768764
H -6.656062 -0.434356 1.016043
H -5.830118 -1.982513 1.031716
H 4.075307 0.558658 -1.380914
H 4.742295 -1.999912 2.076627
H -9.044516 -2.370929 -0.590922
H 6.233736 -0.310966 -2.327515
H 7.556418 -2.015072 -1.004565


%chk=000251178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251178

0 1
O 0.180419 -0.145861 -1.108438
O -0.034884 2.032190 1.796975
O -0.139019 3.567306 -0.481637
O 1.570960 2.960879 -2.646131
O -3.913504 -0.655691 1.862002
O 3.021986 1.071655 1.236414
O -8.689972 -0.987709 0.027671
O -7.270494 -2.363966 -1.188091
N -2.633096 -0.098194 0.004225
N 0.857998 -0.601009 1.194505
N 2.135758 -1.042927 0.809130
N 6.120134 -2.490716 0.123536
C -1.415292 0.162246 0.781218
C -1.059343 1.681576 0.805785
C -0.584852 2.167612 -0.584359
C -0.238596 -0.656814 0.187920
C 0.578635 1.298790 -1.118999
C 0.942516 1.642665 -2.572384
C -3.815110 -0.513046 0.605453
C -4.962943 -0.821686 -0.360139
C -6.329369 -0.643429 0.323920
C 3.190508 -0.124865 0.848821
C 4.524459 -0.649703 0.411188
C -7.421667 -1.425958 -0.372797
C 5.476651 0.271758 -0.095383
C 4.904611 -2.014180 0.518150
C 6.737053 -0.205827 -0.504356
C 7.010468 -1.590361 -0.389823
H -1.637704 -0.157917 1.817062
H -1.953541 2.249303 1.112644
H -1.422826 2.169190 -1.305919
H -0.565339 -1.691899 -0.049969
H 1.466737 1.444299 -0.475585
H -2.578673 -0.028255 -1.014651
H 0.032737 1.587852 -3.210515
H 1.682353 0.920091 -2.955697
H 0.576556 -0.948529 2.121638
H 0.757508 1.418623 1.691058
H 0.268721 3.648990 0.428461
H 2.243519 -1.943445 0.328561
H -4.870634 -1.875726 -0.689499
H -4.891861 -0.201694 -1.273089
H 1.058233 3.569807 -2.039772
H -6.629053 0.416333 0.393809
H -6.250810 -1.004698 1.369144
H 5.210333 1.331742 -0.155136
H 4.237809 -2.759451 0.970211
H -9.386277 -1.545254 -0.415228
H 7.495327 0.472695 -0.905917
H 7.973371 -2.003190 -0.710287


