%chk=000251508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251508

0 1
O 2.489221 -0.973787 0.157756
O 2.322639 0.679707 -2.666818
O 0.947120 2.054438 0.229535
O 5.267316 1.271361 -0.376292
O 5.564847 0.274272 2.406696
O -2.216359 2.822130 0.331448
N 0.190900 -1.354887 0.138046
N -0.877921 -3.358805 -0.219245
N -1.793741 0.147365 0.190554
N -3.913034 -1.084535 -0.132015
N -4.007474 -3.420095 -0.441928
N -3.921236 1.250940 0.157449
C 3.364585 -0.073232 -0.582839
C 2.467111 0.969753 -1.286620
C 1.099213 0.889493 -0.561444
C 1.223194 -0.331886 0.406549
C 4.316908 0.575581 0.444398
C 5.029486 -0.481884 1.302864
C -1.175599 -1.072480 0.078674
C 0.312686 -2.774891 -0.050743
C -1.832454 -2.328576 -0.143877
C -3.258900 -2.292133 -0.241120
C -3.154279 0.066365 0.071017
C -3.396860 2.576107 0.298748
C -4.484649 3.607677 0.392682
H 3.908349 -0.728010 -1.296045
H 2.897002 2.001948 -1.283811
H 0.260377 0.802184 -1.287585
H 1.199436 -0.033052 1.484223
H 3.794020 1.315021 1.098021
H 4.323091 -1.248622 1.670795
H 5.866971 -0.956159 0.760568
H 1.963215 -0.222736 -2.812996
H -0.036826 2.240564 0.356994
H 1.284465 -3.252523 -0.047335
H 5.941696 1.701251 0.200713
H 5.857515 -0.328301 3.116944
H -3.556403 -4.319188 -0.528049
H -5.011579 -3.371819 -0.509675
H -4.939251 1.111535 0.098725
H -5.112629 3.645419 -0.508436
H -4.038145 4.611073 0.509816
H -5.143523 3.452117 1.258461


%chk=000251508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251508

0 1
O 2.543448 -1.169010 -0.203636
O 2.404592 0.289757 -2.887707
O 0.864118 1.915984 -0.002448
O 5.006878 1.633302 -0.040939
O 5.360565 0.705927 2.509893
O -1.878730 2.828303 0.387158
N 0.195845 -1.543707 -0.112661
N -0.995568 -3.482638 -0.414045
N -1.646416 0.051333 0.164826
N -3.848913 -1.021358 -0.002290
N -4.127576 -3.339763 -0.354726
N -3.667565 1.283190 0.332588
C 3.427931 -0.040753 -0.653939
C 2.489287 0.820035 -1.519332
C 1.109102 0.737002 -0.796903
C 1.254033 -0.546752 0.111041
C 4.021540 0.717114 0.547285
C 4.713889 -0.213352 1.550445
C -1.147718 -1.195856 -0.039868
C 0.235610 -2.932834 -0.332071
C -1.873464 -2.396022 -0.228063
C -3.297422 -2.264141 -0.195969
C -3.001161 0.051484 0.159640
C -3.112715 2.569045 0.435368
C -4.167153 3.661257 0.612342
H 4.238038 -0.496115 -1.246622
H 2.832361 1.857879 -1.618942
H 0.323929 0.584010 -1.560440
H 1.225341 -0.222358 1.171102
H 3.233733 1.298183 1.071514
H 3.975367 -0.868330 2.051698
H 5.471013 -0.835774 1.029382
H 2.208284 -0.682309 -2.835475
H -0.121620 2.029785 0.156052
H 1.175991 -3.467544 -0.426780
H 5.524439 2.008197 0.720146
H 5.903707 0.196394 3.159320
H -3.728467 -4.264307 -0.503466
H -5.135665 -3.203976 -0.330136
H -4.686479 1.190532 0.351831
H -4.864172 3.685865 -0.245659
H -3.657836 4.632453 0.684010
H -4.759902 3.498567 1.531281


