%chk=000271479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271479

0 1
O 4.266709 -1.012135 -0.144965
N -4.939588 1.378573 -0.349872
C -0.513903 -0.730190 0.481899
C -1.713688 0.204125 0.346377
C -0.662785 -1.922942 -0.498342
C 0.804804 -0.011225 0.183757
C -1.477748 1.598568 0.850262
C -2.046355 -2.568583 -0.397671
C -0.360857 2.243163 0.019687
C -0.473986 -1.222578 1.943495
C 0.871763 1.384097 -0.022385
C -3.148062 -1.565433 -0.754760
C -2.889523 -0.197309 -0.178916
C 1.979499 -0.766262 0.137023
C 2.106222 1.991857 -0.287252
C 3.205706 -0.130129 -0.129437
C 3.287750 1.249199 -0.347227
C -4.018196 0.682778 -0.269942
C 5.584916 -0.475835 -0.408485
H 0.120521 -2.678482 -0.300062
H -0.485678 -1.567112 -1.532991
H -2.388145 2.228997 0.813323
H -1.187816 1.565990 1.922518
H -2.208736 -2.959915 0.626148
H -2.104587 -3.446061 -1.069747
H -0.127924 3.246184 0.430804
H -0.718348 2.417464 -1.018813
H -0.253394 -0.402325 2.636322
H -1.431684 -1.663620 2.242179
H 0.300821 -1.983676 2.088314
H -4.131000 -1.946820 -0.408141
H -3.232594 -1.471602 -1.859627
H 1.974597 -1.841902 0.303759
H 2.152911 3.069108 -0.450988
H 4.230468 1.741453 -0.555105
H 5.867860 0.238196 0.370082
H 5.621300 -0.028735 -1.405922
H 6.208150 -1.378283 -0.359399


%chk=000271479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271479

0 1
O 4.337135 -1.035850 -0.161089
N -4.942490 1.480269 -0.448184
C -0.531099 -0.753394 0.510935
C -1.726710 0.198096 0.372279
C -0.696665 -1.975218 -0.451943
C 0.797346 -0.012521 0.197571
C -1.500832 1.604569 0.885064
C -2.107609 -2.592176 -0.382570
C -0.386239 2.267869 0.036686
C -0.474317 -1.254094 1.997452
C 0.861691 1.397295 -0.018890
C -3.173075 -1.566584 -0.816728
C -2.909328 -0.185341 -0.216343
C 1.991236 -0.767553 0.142813
C 2.118195 1.988386 -0.288422
C 3.236477 -0.160465 -0.133278
C 3.309577 1.235827 -0.355222
C -4.002923 0.746144 -0.327966
C 5.650425 -0.457242 -0.450797
H 0.059462 -2.743115 -0.205966
H -0.491626 -1.642673 -1.488642
H -2.427006 2.201951 0.838944
H -1.172622 1.575393 1.942596
H -2.320032 -2.939880 0.646026
H -2.161754 -3.483060 -1.035856
H -0.137462 3.261174 0.455486
H -0.776822 2.445263 -0.985867
H -0.360019 -0.409718 2.699093
H -1.392924 -1.803399 2.267641
H 0.392129 -1.924206 2.138219
H -4.184616 -1.908330 -0.526403
H -3.187050 -1.474474 -1.922188
H 1.988271 -1.848969 0.311310
H 2.166821 3.072658 -0.449042
H 4.259659 1.734906 -0.566605
H 5.942699 0.286845 0.315909
H 5.671589 0.016021 -1.452092
H 6.349911 -1.305810 -0.428033


