%chk=000087236.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000087236 0 1 O 0.4567000 -0.4911000 -1.9400001E-02 O 1.843000 1.352600 -1.7000001E-02 N 5.162400 0.1918000 4.4399999E-02 C -3.206100 0.3457000 -2.3499999E-02 C -1.937700 -0.5047000 -3.0999999E-02 C -4.460400 -0.5268000 1.5100000E-02 C -0.6831000 0.3571000 -2.6900001E-02 C -5.724700 0.3167000 5.6899998E-02 C 1.674100 0.1407000 -1.5000000E-02 C 2.770700 -0.8958000 -6.0999999E-03 C 4.105300 -0.2862000 2.2399999E-02 H -3.227700 0.9836000 -0.9154000 H -3.196400 1.010500 0.8489000 H -1.926000 -1.162000 -0.9094000 H -1.921500 -1.170100 0.8414000 H -4.489000 -1.176600 -0.8672000 H -4.435000 -1.177700 0.8969000 H -0.6685000 0.9944000 0.8651000 H -0.6609000 0.9911000 -0.9211000 H -5.742300 0.9536000 0.9471000 H -5.797300 0.9585000 -0.8268000 H -6.609300 -0.3273000 8.2599998E-02 H 2.667800 -1.513400 -0.9045000 H 2.638800 -1.529300 0.8774000 %chk=000087236-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000087236 0 1 O 0.505026 -0.465461 -0.004487 O 1.902556 1.407551 -0.022617 N 5.313317 0.058624 -0.014078 C -3.241124 0.351007 0.008331 C -1.931955 -0.474333 0.006269 C -4.504729 -0.539835 0.015744 C -0.700443 0.429045 -0.001901 C -5.812647 0.279995 0.017186 C 1.740419 0.172741 -0.015708 C 2.835202 -0.905925 -0.019998 C 4.197855 -0.359788 -0.016802 H -3.267558 1.012767 -0.882149 H -3.261214 1.018496 0.894675 H -1.906588 -1.135480 -0.881158 H -1.899694 -1.129052 0.898227 H -4.484882 -1.207399 -0.869426 H -4.478984 -1.201014 0.905551 H -0.645353 1.076982 0.892129 H -0.653384 1.071654 -0.900244 H -5.870610 0.933798 0.907705 H -5.877254 0.926427 -0.878243 H -6.700671 -0.377890 0.023207 H 2.688392 -1.549064 -0.907859 H 2.687222 -1.558548 0.860546