%chk=000237648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237648

0 1
O 4.833679 -2.394323 0.292073
O -5.447606 0.178172 0.180844
N 2.413058 0.327883 -0.170546
C 0.964263 0.492373 0.224757
C 0.415779 1.810430 -0.366144
C 2.970902 -0.982423 0.297265
C 0.127861 -0.671411 -0.354742
C 3.260826 1.445312 0.372188
C 4.391253 -1.142643 -0.280226
C 4.682442 1.336698 -0.204760
C 5.325890 -0.005535 0.155598
C -1.018513 2.048926 0.112711
C -1.350012 -0.457306 -0.188455
C -1.896156 0.832278 0.001694
C -2.205925 -1.563536 -0.256019
C -3.278359 0.994249 0.121118
C -4.110506 -0.137546 0.047539
C -3.592175 -1.423238 -0.139391
C -6.405086 -0.904883 0.117980
H 0.844190 0.507490 1.338594
H 0.451229 1.759715 -1.473159
H 1.055460 2.670162 -0.086446
H 2.337853 -1.815684 -0.078985
H 3.004823 -1.088445 1.403183
H 0.431593 -1.628349 0.116793
H 0.357452 -0.783176 -1.438366
H 3.298867 1.453620 1.482657
H 2.809182 2.413244 0.056198
H 4.369469 -1.253726 -1.385596
H 5.301286 2.172010 0.170837
H 4.640236 1.448257 -1.307533
H 6.315015 -0.102995 -0.324576
H 5.508153 -0.071852 1.246053
H -1.461454 2.889980 -0.460961
H -1.013959 2.382871 1.173235
H -1.789586 -2.560465 -0.403996
H -3.728123 1.972748 0.268614
H 5.735457 -2.609118 -0.000666
H -4.231844 -2.295485 -0.194995
H -6.360904 -1.395389 -0.858533
H -7.356061 -0.372340 0.247747
H -6.235948 -1.609949 0.936718


%chk=000237648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237648

0 1
O 4.864041 -2.470566 -0.107339
O -5.549581 0.202647 0.123775
N 2.450356 0.373291 -0.143100
C 0.993321 0.543726 0.169525
C 0.417196 1.777109 -0.571668
C 2.999562 -0.983166 0.120401
C 0.149641 -0.685763 -0.238510
C 3.282672 1.392727 0.554527
C 4.439809 -1.088870 -0.408148
C 4.740857 1.365431 0.054677
C 5.352652 -0.040729 0.251212
C -1.010876 2.093791 -0.080080
C -1.354945 -0.444971 -0.122288
C -1.913856 0.865282 -0.075334
C -2.232738 -1.553221 -0.078358
C -3.314010 1.025488 0.005015
C -4.175816 -0.094070 0.043339
C -3.634287 -1.402514 0.002135
C -6.478892 -0.926491 0.171503
H 0.854852 0.703345 1.272927
H 0.415804 1.554033 -1.656100
H 1.056865 2.665676 -0.425237
H 2.397473 -1.744572 -0.397410
H 3.009823 -1.235496 1.211982
H 0.411434 -1.565198 0.378152
H 0.406823 -0.942414 -1.288179
H 3.271374 1.218174 1.664016
H 2.853578 2.393428 0.378655
H 4.423484 -0.919651 -1.506878
H 5.334806 2.121636 0.602145
H 4.755685 1.638353 -1.018035
H 6.375299 -0.085898 -0.174621
H 5.430093 -0.274650 1.332067
H -1.461109 2.888189 -0.705327
H -0.957879 2.505488 0.949958
H -1.811370 -2.566256 -0.107520
H -3.760853 2.025546 0.040134
H 5.796530 -2.591714 -0.418910
H -4.275402 -2.288379 0.033031
H -6.409267 -1.547672 -0.743292
H -7.479498 -0.473662 0.235421
H -6.299652 -1.560836 1.062041


