%chk=000227995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227995

0 1
O 1.753639 0.163731 0.696251
N 7.113837 -0.295998 -0.522889
N -6.711088 -0.300073 1.020955
C 6.592322 -1.674413 -0.816178
C 8.602885 -0.302563 -0.330180
C 6.429450 0.292128 0.680732
C 6.968921 -2.079887 -2.241472
C 9.158144 1.117268 -0.446996
C 5.041611 0.570324 0.384635
C -2.402165 0.031699 0.703893
C 0.383310 0.200898 0.626454
C -1.767994 0.959101 -0.134911
C -1.612432 -0.812369 1.518616
C 2.506270 1.103074 -0.149836
C -0.373388 1.056466 -0.182634
C -0.228614 -0.741498 1.484384
C 3.887241 0.819051 0.134619
C -3.862876 -0.080309 0.771573
C -4.689278 0.178151 -0.256769
C -6.152399 0.061786 -0.174373
C -6.950169 0.321197 -1.313471
C -8.336334 0.205071 -1.211849
C -8.911250 -0.163830 0.008282
C -8.060772 -0.407270 1.098664
H 6.951245 -2.435339 -0.090686
H 5.481229 -1.651773 -0.729789
H 8.913369 -0.759875 0.633799
H 9.046246 -0.931504 -1.136616
H 6.947030 1.253964 0.937598
H 6.497323 -0.356251 1.590089
H 6.694010 -1.290839 -2.955938
H 8.045173 -2.251609 -2.352739
H 6.448314 -2.996343 -2.537869
H 8.774480 1.611958 -1.350966
H 8.876286 1.745032 0.405230
H 10.251150 1.107485 -0.509319
H -2.366770 1.626197 -0.756666
H -2.099618 -1.533136 2.177608
H 0.090660 1.785190 -0.837011
H 0.396187 -1.386756 2.098200
H 2.247331 0.900177 -1.210021
H 2.219177 2.135210 0.139205
H -4.264743 -0.407615 1.740914
H -4.307242 0.486015 -1.232010
H -6.486852 0.605636 -2.254175
H -8.967617 0.400633 -2.078539
H -9.987465 -0.260685 0.113159
H -8.459875 -0.699609 2.077140


%chk=000227995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227995

0 1
O 1.733073 -0.012622 0.698494
N 7.302428 -0.241150 -0.538067
N -6.821255 -0.694649 0.786437
C 6.816861 -1.650193 -0.603889
C 8.774506 -0.149503 -0.333348
C 6.572526 0.542550 0.499354
C 7.211614 -2.363025 -1.910097
C 9.355101 1.241554 -0.653187
C 5.126652 0.664303 0.243641
C -2.521443 -0.142759 0.527772
C 0.333523 0.002379 0.587269
C -1.809314 0.752243 -0.320088
C -1.751286 -0.962674 1.408701
C 2.480759 0.926822 -0.178436
C -0.403654 0.832971 -0.299089
C -0.350558 -0.897066 1.443156
C 3.911184 0.774746 0.071471
C -3.982037 -0.265431 0.545044
C -4.888532 0.419276 -0.222749
C -6.341184 0.222819 -0.127883
C -7.226283 0.965896 -0.963403
C -8.617697 0.765386 -0.859706
C -9.106894 -0.174496 0.077228
C -8.164847 -0.873783 0.871770
H 7.171692 -2.243277 0.278846
H 5.714159 -1.614795 -0.541403
H 9.059522 -0.449243 0.709940
H 9.244179 -0.883673 -1.010632
H 7.008120 1.557930 0.536233
H 6.706705 0.102762 1.524165
H 6.861678 -1.778709 -2.778710
H 8.303631 -2.501762 -2.005902
H 6.746975 -3.365566 -1.948595
H 9.052439 1.552662 -1.668184
H 9.021920 2.018064 0.059085
H 10.459380 1.210839 -0.608702
H -2.358704 1.401068 -1.011248
H -2.272504 -1.661185 2.074130
H 0.097936 1.536928 -0.969848
H 0.236084 -1.526636 2.118690
H 2.247821 0.699196 -1.239765
H 2.152440 1.965071 0.038044
H -4.408127 -0.989393 1.253637
H -4.557641 1.162196 -0.960868
H -6.816329 1.686963 -1.679513
H -9.308010 1.329863 -1.495901
H -10.178518 -0.363392 0.193116
H -8.500191 -1.611607 1.611090


