%chk=000081393.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000081393 2 1 N 1.488400 0.000000 1.2000001E-03 N -1.488300 0.000000 -1.2000001E-03 C 0.6828000 1.254100 -0.3344000 C 0.6830000 -1.253900 -0.3356000 C -0.6828000 1.253800 0.3355000 C -0.6829000 -1.254200 0.3341000 C 1.937800 -7.9999998E-04 1.462500 C 2.756500 6.0000003E-04 -0.8629000 C -1.938100 7.9999998E-04 -1.462400 C -2.756200 -3.9999999E-04 0.8631000 H 0.5912000 1.304800 -1.424900 H 1.271000 2.119200 -6.6000000E-03 H 1.271100 -2.119300 -8.3999997E-03 H 0.5915000 -1.303600 -1.426100 H -0.5913000 1.303500 1.426100 H -1.271000 2.119200 8.5000005E-03 H -1.271100 -2.119300 6.0000001E-03 H -0.5914000 -1.305300 1.424600 H 2.538000 -0.8989000 1.637300 H 2.537700 0.8972000 1.638200 H 1.065600 -1.2000001E-03 2.117800 H 2.461100 1.0000000E-03 -1.916400 H 3.333400 0.9002000 -0.6284000 H 3.333600 -0.8992000 -0.6293000 H -2.538200 -0.8971000 -1.638000 H -2.538000 0.8990000 -1.637100 H -1.066000 1.0000000E-03 -2.117800 H -3.333300 -0.9000000 0.6287000 H -2.460700 -1.0000000E-03 1.916600 H -3.333300 0.8994000 0.6297000 %chk=000081393-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000081393 2 1 N 1.532601 0.000003 0.006118 N -1.532591 -0.000036 -0.006082 C 0.692715 1.248205 -0.331170 C 0.692769 -1.247866 -0.332488 C -0.692746 1.247833 0.332515 C -0.692729 -1.248239 0.331162 C 1.981448 -0.000763 1.476544 C 2.799829 0.000473 -0.874237 C -1.981463 0.000750 -1.476516 C -2.799803 -0.000486 0.874282 H 0.626480 1.304335 -1.431171 H 1.248677 2.136815 0.013372 H 1.248729 -2.136812 0.011186 H 0.626572 -1.302872 -1.432547 H -0.626520 1.302827 1.432572 H -1.248737 2.136784 -0.011102 H -1.248663 -2.136836 -0.013449 H -0.626504 -1.304447 1.431158 H 2.590990 -0.899570 1.657653 H 2.590956 0.897881 1.658606 H 1.115663 -0.001144 2.154204 H 2.510037 0.001039 -1.936972 H 3.390970 0.900640 -0.644983 H 3.390938 -0.899959 -0.645953 H -2.591064 -0.897837 -1.658537 H -2.590908 0.899624 -1.657634 H -1.115683 0.001012 -2.154186 H -3.390922 -0.900683 0.645099 H -2.510000 -0.000988 1.937014 H -3.390942 0.899915 0.645944