%nproc=16 %mem=370mw %chk=Int2_5MCC.chk #p opt freq wb97xd/6-311G** scrf=(smd, solvent=acetonitrile) 5MCC-Int2 Intermediate structure (Min) 0 1 C 2.14880300 -0.51782600 -0.10825700 O 2.33306500 -1.57646300 -1.04766300 H -2.42290800 -0.43846200 1.26013900 C -5.37167100 -1.28104500 -1.08149400 H -6.12174100 -1.79153200 -0.46336200 H -5.06889200 -1.96916300 -1.86829100 C -5.97524400 -0.01041600 -1.67119100 H -5.29978700 0.40624700 -2.41910500 H -6.92573600 -0.23698100 -2.15816100 C -6.19833800 0.99552000 -0.55934600 H -6.48318700 1.96862900 -0.96888800 H -6.99611600 0.66447700 0.11127500 N -4.18681100 -0.99078400 -0.27904200 H -3.38920800 -1.51611900 -0.38399400 C -4.90014900 2.38959300 1.04254900 H -5.36806000 3.19853300 0.48199500 H -5.48318300 2.22670600 1.95497500 C -3.46258400 2.73612600 1.38469700 H -3.44391200 3.55646300 2.10418600 H -2.93433800 3.05905600 0.48278600 C -2.78334000 1.51348000 1.96818200 H -1.71560400 1.69013100 2.10810900 H -3.21651500 1.26740000 2.94104700 C -4.06603400 0.19115900 0.32158300 N -2.94064400 0.39938900 1.03937300 N -4.96665700 1.18557400 0.20339900 C -1.10808600 -1.75543000 -1.42845100 C -1.44719700 -3.33621300 -0.00653900 C -0.14711000 -3.42282500 -0.41935300 N 0.05468500 -2.40611000 -1.31840600 H -1.22209600 -0.90329900 -2.07820800 H -1.98211200 -3.95046100 0.70491200 H 0.64443200 -4.10234500 -0.14024700 N -2.05061100 -2.27647800 -0.64517000 C 1.39826200 -1.89978500 -2.12961200 O 1.08082300 -0.98254500 -2.92904100 C 1.98939700 -3.18792900 -2.70968900 H 2.19075800 -3.94523900 -1.94912800 H 1.29147500 -3.58874800 -3.44808000 H 2.92694100 -2.93465100 -3.21289000 C 1.31256200 0.66210800 -0.65651300 H 1.66981600 0.89544000 -1.65807400 C 1.52522900 -1.13266400 1.15558200 C 2.16431400 -2.23127200 1.73724400 C 0.33797600 -0.68755500 1.72629000 C 1.63280400 -2.86279600 2.85133400 H 3.08444100 -2.59967600 1.29749400 C -0.20322400 -1.31826300 2.84542700 H -0.20164300 0.14787700 1.29887500 C 0.44076700 -2.40824500 3.41237800 H 2.14567500 -3.71563400 3.28297300 H -1.13550400 -0.95299800 3.26481400 H 0.02098100 -2.90229600 4.28164800 C 3.56682500 0.00124700 0.17330900 C 3.96785700 0.43904600 1.43387700 C 4.46339500 0.11309600 -0.88979500 C 5.23625700 0.97876500 1.62898300 H 3.28983100 0.36262900 2.27658500 C 5.72966000 0.64968000 -0.69800300 H 4.15629400 -0.22642100 -1.87162600 C 6.12225700 1.08588500 0.56445800 H 5.53017700 1.31308100 2.61819800 H 6.41300600 0.72868200 -1.53696100 H 7.11157500 1.50392600 0.71564500 H 0.28087900 0.33455100 -0.77998600 C 1.32631200 1.93087900 0.19714600 C 0.07295300 2.79241900 0.03103800 H 1.53669800 1.74251500 1.24737200 O 2.35218800 2.84178800 -0.26789900 H -0.79751400 2.23879600 -0.31522000 O 0.46083800 3.72725100 -0.98898800 H -0.17029900 3.35075600 0.93684500 C 1.79828300 3.77727900 -1.04597900 O 2.41383900 4.56208000 -1.70414100