%chk=000065745.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000065745 0 1 O -1.337100 1.889400 -1.8400000E-02 O 1.049300 2.007100 1.7999999E-02 N -0.9762000 -1.712100 1.9000000E-03 N 1.241500 -1.592900 -2.3000001E-03 N -2.991400 0.3214000 4.9000001E-03 N 2.902100 0.6796000 -4.6999999E-03 C -0.6730000 -0.3797000 1.3000000E-03 C 0.7012000 -0.3313000 -7.9999998E-04 C 0.2047000 -2.401100 -1.9999999E-04 C -1.636100 0.6723000 2.7999999E-03 C 1.515100 0.8474000 -2.7000001E-03 H -1.899600 -2.123900 3.4000000E-03 H 0.2393000 -3.481200 -3.9999999E-04 H -3.320200 -0.6379000 1.3500000E-02 H -3.706700 1.041100 -1.7000000E-03 H 3.333600 -0.2392000 -1.2000000E-02 H 3.524200 1.481000 1.6000000E-03 %chk=000065745-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000065745 0 1 O -3.190032 -0.598308 -0.593354 O 0.515645 1.910494 0.749830 N -0.851165 -2.011763 -0.661672 N 1.302823 -1.573377 -0.185449 N -2.102880 1.343757 0.168469 N 2.520204 0.721457 0.706036 C -0.828400 -0.681548 -0.250350 C 0.526126 -0.421087 0.044370 C 0.435899 -2.514130 -0.610924 C -2.139311 0.039622 -0.234719 C 1.166235 0.828066 0.524899 H -1.728657 -2.462291 -0.939928 H 0.695436 -3.534100 -0.881220 H -1.191624 1.778895 0.441150 H -2.979875 1.863568 0.187847 H 2.969330 -0.175266 0.505549 H 3.050945 1.526011 1.033665