%chk=000289703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289703

0 1
S 2.628530 2.038118 0.000433
N 1.552949 -0.385556 -0.000218
N -0.038041 1.493978 0.000479
N -1.153385 0.702810 0.000128
N -4.521857 -1.810007 -0.000268
C 3.715715 0.669185 0.000004
C 2.965194 -0.541183 -0.000317
C 1.212523 0.880994 0.000175
C 5.104146 0.664086 -0.000051
C 3.629167 -1.776352 -0.000699
C 5.754293 -0.573630 -0.000431
C 5.023814 -1.774790 -0.000751
C -3.523429 0.405651 -0.000041
C -2.332524 1.268651 0.000227
C -4.802910 0.986715 -0.000315
C -3.430831 -1.007651 -0.000025
C -5.930163 0.163222 -0.000565
C -5.750950 -1.229859 -0.000532
H 5.673041 1.592255 0.000190
H 3.054906 -2.702759 -0.000945
H 6.842788 -0.609752 -0.000489
H 5.560560 -2.724364 -0.001048
H -0.083898 2.519620 0.000527
H -2.533176 2.349958 0.000512
H -4.920009 2.069882 -0.000342
H -2.450884 -1.511798 0.000171
H -6.929968 0.590572 -0.000782
H -6.605802 -1.915996 -0.000727


%chk=000289703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289703

0 1
S 2.652346 2.144637 0.000358
N 1.596818 -0.365878 -0.000297
N -0.036698 1.421721 0.000143
N -1.137951 0.596502 -0.000039
N -4.646813 -1.834503 -0.000531
C 3.761026 0.701404 -0.000004
C 2.998208 -0.515846 -0.000317
C 1.247937 0.896388 0.000021
C 5.167273 0.693740 0.000007
C 3.675524 -1.757328 -0.000621
C 5.825541 -0.558887 -0.000300
C 5.085337 -1.770306 -0.000609
C -3.550747 0.366082 -0.000121
C -2.326697 1.169947 0.000069
C -4.822258 1.002146 -0.000079
C -3.526657 -1.062580 -0.000348
C -5.990935 0.212579 -0.000264
C -5.858886 -1.194975 -0.000490
H 5.744199 1.623687 0.000246
H 3.089350 -2.680803 -0.000859
H 6.920319 -0.588149 -0.000295
H 5.616665 -2.727948 -0.000844
H -0.140503 2.447568 0.000354
H -2.452249 2.273764 0.000288
H -4.890265 2.097234 0.000094
H -2.565052 -1.586071 -0.000380
H -6.983895 0.672762 -0.000238
H -6.741139 -1.844887 -0.000643


