%chk=000123391.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000123391 0 1 N -1.893900 0.5332000 1.8000000E-03 N -1.208400 -1.778700 -1.2000001E-03 N -3.450900 -1.268600 -7.7999998E-03 C 0.4805000 -3.5000001E-03 3.0000001E-04 C -0.5377000 0.9748000 -3.0000001E-04 C 1.848600 0.3685000 -3.0000001E-04 C 0.1346000 -1.363400 1.2000001E-03 C -0.1530000 2.327300 -2.7000001E-03 C -2.140300 -0.8501000 -2.2000000E-03 C 2.188600 1.725600 -2.0999999E-03 C 2.836000 -0.6277000 7.9999998E-04 C 1.137400 -2.340100 2.4999999E-03 C 1.193200 2.697000 -3.5999999E-03 C -2.915600 1.580300 1.1200000E-02 C 2.480800 -1.974600 2.4000001E-03 H -0.8861000 3.129100 -5.5999998E-03 H 3.230200 2.038800 -2.7000001E-03 H 3.891200 -0.3631000 5.0000002E-04 H 0.8737000 -3.395000 2.9000000E-03 H 1.464100 3.749200 -5.5999998E-03 H -3.938700 1.203000 4.3600000E-02 H -2.845900 2.195300 -0.8934000 H -2.807300 2.219200 0.8955000 H 3.251800 -2.739500 3.1999999E-03 H -4.247500 -0.6478000 -4.5000002E-02 H -3.664000 -2.260900 -6.8999999E-03 %chk=000123391-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000123391 0 1 N -1.883304 0.560178 0.011404 N -1.235080 -1.773295 -0.091464 N -3.491663 -1.202418 -0.150599 C 0.497394 -0.008265 -0.016926 C -0.525235 1.002421 -0.047855 C 1.888268 0.374425 -0.003686 C 0.120575 -1.400933 0.003794 C -0.176171 2.363421 -0.104835 C -2.154986 -0.817693 -0.086762 C 2.216339 1.772450 -0.045847 C 2.877829 -0.660143 0.055004 C 1.122606 -2.387916 0.067462 C 1.203913 2.731622 -0.102664 C -2.946927 1.551254 0.240196 C 2.492791 -2.008147 0.096510 H -0.936129 3.146644 -0.164924 H 3.269697 2.074063 -0.035540 H 3.937865 -0.382596 0.065607 H 0.822181 -3.439491 0.081266 H 1.462612 3.795701 -0.146498 H -3.831144 1.056116 0.670794 H -3.233313 2.083070 -0.688405 H -2.596099 2.298425 0.973259 H 3.260153 -2.789467 0.144144 H -4.208634 -0.600470 -0.547157 H -3.632140 -2.210657 -0.189777