%chk=000278029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278029

0 1
I -5.393371 0.002487 -0.000534
O 1.749983 2.920020 -0.000522
N -0.267356 1.909829 -0.000018
C -0.497951 -0.526502 0.000387
C 0.960700 -0.654406 0.000273
C -1.085884 0.765794 0.000040
C 1.758869 0.509403 0.000225
C 1.158465 1.856372 0.000756
C -1.354778 -1.646015 0.000521
C 1.602971 -1.911742 0.000022
C -2.495753 0.920818 -0.000251
C 3.165103 0.412933 -0.000089
C -2.738063 -1.501366 0.000332
C 2.990741 -1.996697 -0.000266
C -3.284232 -0.213017 -0.000075
C 3.778762 -0.833257 -0.000310
H -0.703672 2.836794 -0.000599
H -0.920412 -2.649611 0.000711
H 1.005052 -2.823282 -0.000014
H -2.937134 1.918040 -0.000562
H 3.757601 1.333814 -0.000001
H -3.382381 -2.381167 0.000447
H 3.475100 -2.974595 -0.000496
H 4.864941 -0.911447 -0.000476


%chk=000278029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278029

0 1
I -5.465753 0.063852 0.000093
O 1.796401 2.956376 -0.000286
N -0.257609 1.878183 -0.000163
C -0.507236 -0.555837 0.000026
C 0.960494 -0.674271 -0.000005
C -1.090600 0.751068 -0.000059
C 1.762478 0.512919 -0.000107
C 1.148326 1.865102 -0.000181
C -1.392600 -1.667239 0.000134
C 1.633522 -1.930436 0.000060
C -2.500173 0.926689 -0.000040
C 3.178447 0.433979 -0.000143
C -2.790355 -1.512048 0.000155
C 3.037005 -2.000278 0.000026
C -3.332261 -0.202898 0.000066
C 3.819598 -0.815112 -0.000075
H -0.679053 2.812335 -0.000227
H -0.989465 -2.684249 0.000205
H 1.059575 -2.862052 0.000136
H -2.921764 1.936717 -0.000107
H 3.740232 1.373668 -0.000222
H -3.444470 -2.387395 0.000239
H 3.529897 -2.978701 0.000078
H 4.912663 -0.877171 -0.000101


