%chk=000239704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239704

0 1
O -0.001838 -2.196412 -0.892350
O 1.937066 -0.325893 1.775301
O -1.937525 -0.322232 1.775186
N 1.448356 2.337220 -0.179394
N -1.443814 2.339859 -0.179505
C 1.259817 -0.152332 -0.524303
C -1.259796 -0.150039 -0.524374
C 0.738669 1.239092 -0.315564
C -0.736123 1.240436 -0.315617
C -0.000774 -1.017337 -0.661627
C 2.163988 -0.629085 0.634976
C -2.164896 -0.625123 0.634867
C 0.718458 3.524964 -0.009778
C -0.711763 3.526269 -0.009836
C 3.324391 -1.462587 0.205717
C -3.326773 -1.456568 0.205607
C 1.423509 4.752067 0.162939
C -1.414587 4.754657 0.162822
C 3.138989 -2.596992 -0.596072
C -3.143438 -2.591220 -0.596307
C 4.606955 -1.108260 0.647654
C -4.608681 -1.100037 0.647691
C 0.717105 5.921131 0.327985
C -0.706064 5.922430 0.327926
C 4.242245 -3.371391 -0.962450
C -4.248088 -3.363640 -0.962672
C 5.707759 -1.881434 0.268350
C -5.710875 -1.871232 0.268400
C 5.525561 -3.011713 -0.535178
C -5.530733 -3.001747 -0.535261
H 1.846943 -0.200119 -1.481178
H -1.846962 -0.196760 -1.481275
H 2.515181 4.730501 0.164791
H -2.506297 4.735083 0.164586
H 2.133790 -2.884609 -0.921390
H -2.138776 -2.880594 -0.921723
H 4.740390 -0.233839 1.287599
H -4.740519 -0.225450 1.287742
H 1.241073 6.867957 0.464667
H -1.228314 6.870211 0.464564
H 4.101515 -4.257826 -1.579545
H -4.108966 -4.250261 -1.579865
H 6.706197 -1.605810 0.605157
H -6.708799 -1.593890 0.605321
H 6.384438 -3.616177 -0.826056
H -6.390697 -3.604668 -0.826129


%chk=000239704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239704

0 1
O -0.001431 -1.747980 -1.728010
O 1.860017 0.173563 1.532514
O -1.859698 0.177154 1.532392
N 1.459326 2.694145 -0.437155
N -1.454172 2.696828 -0.437319
C 1.271092 0.204461 -0.842897
C -1.270468 0.206773 -0.842962
C 0.721981 1.591142 -0.602872
C -0.718846 1.592461 -0.602940
C -0.000422 -0.614387 -1.195255
C 2.035459 -0.360933 0.407705
C -2.035945 -0.357166 0.407628
C 0.731396 3.866533 -0.234168
C -0.724102 3.867875 -0.234264
C 2.976045 -1.506417 0.207827
C -2.978546 -1.500993 0.207771
C 1.432543 5.092999 -0.030084
C -1.422994 5.095647 -0.030287
C 3.085418 -2.217935 -1.017741
C -3.089129 -2.212374 -1.017768
C 3.789146 -1.889724 1.312049
C -3.792363 -1.882817 1.311981
C 0.722012 6.279952 0.170881
C -0.710284 6.281279 0.170776
C 3.996933 -3.288699 -1.134819
C -4.002517 -3.281545 -1.134829
C 4.701787 -2.953510 1.188954
C -4.706862 -2.945010 1.188902
C 4.809652 -3.655193 -0.037309
C -4.815912 -3.646564 -0.037329
H 1.967832 0.169856 -1.700431
H -1.967236 0.173403 -1.700524
H 2.526368 5.063198 -0.030722
H -2.516872 5.067882 -0.031072
H 2.437595 -1.971398 -1.863968
H -2.440846 -1.967023 -1.863986
H 3.684479 -1.334896 2.250216
H -3.686758 -1.328133 2.250128
H 1.260954 7.219688 0.332546
H -1.247507 7.222012 0.332364
H 4.069708 -3.839832 -2.078355
H -4.076224 -3.832593 -2.078342
H 5.328447 -3.238526 2.040821
H -5.334049 -3.228888 2.040762
H 5.520190 -4.483793 -0.134205
H -5.527899 -4.473922 -0.134207


