%chk=000245809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245809

0 1
O 5.632406 0.974909 0.572177
N -4.985910 0.110588 0.265278
C -0.741292 0.018616 0.111260
C 0.733977 0.005956 0.103248
C -3.570408 0.044818 0.126527
C -1.447632 1.147448 -0.335343
C -1.463370 -1.096239 0.567089
C -2.838485 1.164355 -0.338142
C -2.854400 -1.090994 0.576158
C 1.455798 1.050724 0.705692
C 1.430421 -1.051557 -0.508858
C 3.547051 -0.022633 0.082710
C 2.849365 1.034113 0.693771
C 2.825096 -1.063669 -0.518477
C -5.696961 1.097864 -0.592937
C -5.712800 -1.187490 0.324760
C 5.039395 0.023337 0.104615
C 5.792384 -1.146259 -0.466235
H -0.898900 2.019428 -0.694392
H -0.927240 -1.975909 0.925767
H -3.356054 2.054572 -0.688086
H -3.384713 -1.964468 0.948447
H 0.924138 1.868366 1.190689
H 0.875717 -1.857992 -0.985545
H 3.418358 1.844742 1.161233
H 3.345851 -1.890262 -1.001565
H -5.287286 2.107678 -0.411884
H -6.761782 1.131515 -0.309269
H -5.628502 0.879688 -1.670118
H -5.648636 -1.774576 -0.604614
H -6.776147 -1.002854 0.549882
H -5.312968 -1.797444 1.154472
H 5.593214 -1.276167 -1.537282
H 5.538787 -2.084648 0.042197
H 6.878130 -0.998856 -0.355024


%chk=000245809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245809

0 1
O 5.726526 1.127908 0.362824
N -5.036480 -0.007505 -0.012659
C -0.741238 -0.002406 0.013396
C 0.741711 0.000084 0.022342
C -3.639651 -0.005906 -0.004109
C -1.489185 1.181753 -0.242693
C -1.489448 -1.188115 0.261081
C -2.892674 1.190309 -0.256948
C -2.893009 -1.200382 0.257984
C 1.481042 1.175692 0.356611
C 1.486760 -1.171708 -0.303303
C 3.619755 0.004467 0.037454
C 2.883891 1.178787 0.361712
C 2.892996 -1.172056 -0.293750
C -5.772163 1.238784 -0.261054
C -5.772300 -1.256019 0.223348
C 5.116098 0.057164 0.060662
C 5.903129 -1.205714 -0.286682
H -0.961776 2.114641 -0.472318
H -0.962791 -2.119601 0.498498
H -3.410006 2.127797 -0.478586
H -3.410849 -2.138801 0.474513
H 0.943855 2.085424 0.646145
H 0.955224 -2.082805 -0.598881
H 3.448041 2.079573 0.626484
H 3.425958 -2.091981 -0.557986
H -5.525235 2.017061 0.489175
H -6.854375 1.043745 -0.201448
H -5.555794 1.653531 -1.266914
H -5.511270 -2.033331 -0.523204
H -6.853995 -1.064153 0.146593
H -5.570857 -1.670564 1.232395
H 5.669119 -1.550661 -1.311182
H 5.656216 -2.031753 0.406112
H 6.979377 -0.986558 -0.217413


