%chk=anthracene-H2.b1.q3.m4.chk
# opt freq b3lyp/6-31g(d,p) geom=connectivity

anthracene-H2.b1.q3.m4

3 4
 C                  1.67518735    1.70762217    0.00104200
 C                  1.01145035    0.51526717    0.00000000
 C                 -0.42073165    0.47364317   -0.00711000
 C                 -1.12112065   -0.73756283   -0.00802000
 C                 -2.52002165   -0.76045183   -0.01291600
 C                 -3.25291265   -1.99167283   -0.01291600
 C                 -4.61753565   -1.99167283   -0.01291600
 C                 -5.34004165   -0.76248883   -0.01636300
 C                 -4.67625865    0.42980417   -0.01973400
 C                 -3.24401865    0.47129517   -0.01843400
 C                 -2.54364165    1.68246217   -0.02015500
 C                 -1.14470065    1.70534617   -0.01453000
 C                 -0.41193865    2.93659217   -0.01449700
 C                  0.95270435    2.93673717   -0.00713000
 H                  1.55732035   -0.44025983    0.00660100
 H                 -2.68358665   -2.93340683   -0.00981000
 H                 -5.18340765   -2.93495083   -0.01051200
 H                 -6.43943965   -0.79865383   -0.01779400
 H                 -5.22207165    1.38535017   -0.02433800
 H                 -3.10178065    2.63144317   -0.02442300
 H                 -0.98148165    3.87820917   -0.02076900
 H                  1.51878435    3.87991417   -0.00603500

 1 2 2.0 14 1.5
 2 3 1.5 15 1.0
 3 4 1.5 12 1.5
 4 5 1.5
 5 6 1.5 10 1.5
 6 7 2.0 16 1.0
 7 8 1.5 17 1.0
 8 9 2.0 18 1.0
 9 10 1.5 19 1.0
 10 11 1.5
 11 12 1.5 20 1.0
 12 13 1.5
 13 14 2.0 21 1.0
 14 22 1.0
 15
 16
 17
 18
 19
 20
 21
 22

--link1--
%chk=anthracene-H2.b1.q3.m4.chk
# b3lyp/6-311++g(3df,3pd) geom=check guess=read scf=tight

 anthracene-H2.b1.q3.m4

 3 4


