%chk=000179530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179530

0 1
O 1.216591 -0.567299 -1.858820
O 2.753396 1.321428 2.318474
O 4.788476 1.507247 1.240392
N 1.445615 0.421078 0.218417
C -0.775084 -0.385199 -0.430385
C -1.479683 -1.547724 -0.869952
C -2.834501 0.538930 0.600307
C -1.459104 0.634732 0.285031
C -2.855739 -1.638767 -0.541967
C -3.524442 -0.623120 0.173655
C 0.683092 -0.200459 -0.761862
C -0.818408 -2.665193 -1.656210
C -3.543458 1.634915 1.377200
C 2.863371 0.681358 -0.019089
C 3.594358 1.205677 1.200744
H -0.916323 1.545276 0.569312
H -3.413339 -2.526686 -0.862881
H -4.593157 -0.730382 0.396787
H 0.123747 -2.999409 -1.186513
H -1.496412 -3.532141 -1.740989
H -0.542832 -2.323254 -2.668705
H -3.026447 2.605027 1.274331
H -4.584232 1.766445 1.031715
H -3.585840 1.395954 2.457785
H 1.071557 0.607403 1.150423
H 3.006043 1.412131 -0.839807
H 3.377661 -0.237687 -0.364566
H 3.271998 1.662815 3.095774


%chk=000179530-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179530

0 1
O 1.218993 -0.586796 -1.856194
O 2.726066 1.432485 2.278975
O 4.780192 1.607364 1.201685
N 1.457416 0.375684 0.231350
C -0.771183 -0.403232 -0.424759
C -1.488112 -1.551042 -0.880722
C -2.818525 0.523399 0.628406
C -1.443930 0.611010 0.311028
C -2.863934 -1.635869 -0.547089
C -3.520092 -0.627745 0.188799
C 0.688561 -0.227552 -0.754849
C -0.839729 -2.663014 -1.685416
C -3.523816 1.621897 1.405276
C 2.873594 0.640224 -0.009988
C 3.581150 1.268707 1.174928
H -0.892369 1.511524 0.609604
H -3.429657 -2.515028 -0.877766
H -4.588085 -0.731185 0.417880
H 0.079371 -3.039695 -1.201540
H -1.539584 -3.506922 -1.813420
H -0.527009 -2.298544 -2.678749
H -2.848629 2.470041 1.612017
H -4.394546 2.013465 0.847164
H -3.901763 1.249023 2.376140
H 1.082675 0.570661 1.161224
H 3.009471 1.306554 -0.884249
H 3.412724 -0.291181 -0.276774
H 3.227653 1.838862 3.035640


