%chk=000187556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187556

0 1
O 1.871344 -1.515651 0.322837
O 0.591380 -1.681124 -1.612986
O 2.934016 0.959090 -0.860837
O -0.210176 2.588068 2.560687
O 3.088323 2.729765 0.426268
O 1.480627 2.711211 -1.241820
O -3.174651 -0.731807 -1.951190
N -1.107639 0.069334 -0.491753
N -1.799053 1.693340 1.162443
N -3.404264 0.893637 -0.353088
C 1.228786 -0.789662 -0.693959
C 0.186485 0.060199 0.051623
C 2.099623 0.072890 -1.644561
C 0.500891 0.824661 1.124951
C 3.265666 -1.915990 0.117536
C 0.065505 -2.938137 -1.094095
C -2.063942 0.899966 0.140747
C -0.470391 1.768177 1.708098
C 3.547862 -2.796031 1.317893
C 0.959692 -4.060807 -1.584032
C 2.379740 2.211243 -0.612670
C -3.903868 0.065375 -1.390629
C -5.350866 0.271775 -1.699187
C 2.508111 3.946139 1.004612
H 2.833763 -0.537910 -2.202403
H 1.468537 0.636735 -2.362299
H -1.333281 -0.512269 -1.327019
H 1.486874 0.777855 1.594348
H 3.875970 -0.992623 0.108327
H 3.342962 -2.453147 -0.842078
H -0.942731 -2.970750 -1.550861
H -0.002698 -2.898331 0.006835
H 3.329841 -2.262832 2.256071
H 2.920420 -3.696617 1.319427
H 4.598452 -3.107308 1.345821
H 1.192428 -3.939722 -2.651072
H 1.914464 -4.084918 -1.044404
H 0.478451 -5.037699 -1.457376
H -4.028624 1.560543 0.130186
H -5.569652 1.295572 -2.040986
H -6.004786 0.062816 -0.838693
H -5.666914 -0.407642 -2.511861
H 2.211899 4.649806 0.221397
H 1.650578 3.651487 1.631407
H 3.341348 4.322694 1.608345


%chk=000187556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187556

0 1
O 2.288169 -1.446164 0.562269
O 0.887010 -1.906419 -1.369260
O 2.830838 1.146703 -0.702340
O -0.411151 2.156001 3.003034
O 2.765218 3.071542 0.412660
O 1.009857 2.598469 -1.076040
O -2.655004 -0.695986 -2.304727
N -0.891985 -0.057075 -0.396453
N -1.819148 1.403889 1.273944
N -3.133984 0.759026 -0.544746
C 1.430027 -0.893836 -0.454662
C 0.314142 -0.161869 0.294305
C 2.141538 0.078203 -1.446424
C 0.473413 0.494168 1.491309
C 3.616751 -1.940446 0.115392
C 0.280242 -3.095473 -0.704534
C -1.899720 0.709899 0.152436
C -0.581139 1.397142 2.002177
C 4.206076 -2.715518 1.291656
C -0.538718 -3.821023 -1.770668
C 2.084694 2.311332 -0.503049
C -3.471937 0.084777 -1.715825
C -4.868026 0.345540 -2.250632
C 2.047216 4.289419 0.881166
H 2.926855 -0.457080 -1.998146
H 1.402979 0.502719 -2.146119
H -1.071171 -0.551769 -1.291637
H 1.411117 0.411135 2.041862
H 4.251341 -1.072268 -0.146814
H 3.489114 -2.586432 -0.776565
H -0.351251 -2.764013 0.143717
H 1.091720 -3.728776 -0.300319
H 4.296741 -2.062635 2.176380
H 3.566516 -3.574366 1.559238
H 5.211850 -3.093012 1.031905
H -1.342755 -3.171055 -2.157465
H 0.102732 -4.121126 -2.617430
H -0.995765 -4.731723 -1.341737
H -3.810473 1.376376 -0.087271
H -4.789566 0.857516 -3.225781
H -5.489913 0.957842 -1.577044
H -5.370879 -0.619518 -2.429613
H 1.625718 4.841167 0.025146
H 1.245736 3.987908 1.576495
H 2.815476 4.878209 1.400210


