%chk=000001892.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000001892 0 1 O -0.3589000 -2.390000 -0.3533000 O 3.643200 -6.0500000E-02 0.4034000 O -3.975200 0.1974000 1.224800 N -1.645600 0.3066000 -0.4966000 N 1.694400 1.175000 0.1036000 N 1.657800 -1.245600 2.7200000E-02 N -0.5111000 2.209400 -0.2462000 C -0.3447000 -4.9300000E-02 -0.2836000 C 0.3273000 1.133000 -0.1335000 C -2.771800 -0.5691000 -0.7151000 C 0.2616000 -1.339300 -0.2162000 C 2.425000 -3.6400001E-02 0.1938000 C -1.695400 1.676400 -0.4652000 C -3.464400 -0.9636000 0.5825000 C 2.366200 2.459500 0.2565000 C 2.391700 -2.503500 0.1179000 H -3.472500 -2.4800001E-02 -1.360300 H -2.436900 -1.447900 -1.272600 H -2.615200 2.227400 -0.6074000 H -4.299600 -1.639000 0.3732000 H -2.769300 -1.460300 1.267300 H 3.436700 2.333700 0.4378000 H 1.925000 2.992900 1.104000 H 2.229500 3.043500 -0.6589000 H 1.752200 -3.378600 -1.6600000E-02 H 2.874000 -2.556100 1.099200 H 3.174200 -2.506900 -0.6475000 H -4.410900 -9.7599998E-02 2.042500 %chk=000001892-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000001892 0 1 O -0.176511 -2.549270 -0.421347 O 3.754858 -0.034042 0.267525 O -4.415460 0.492034 0.699531 N -1.665842 0.202251 -0.360358 N 1.733522 1.152005 0.131995 N 1.782531 -1.256044 -0.073639 N -0.522621 2.160853 -0.049434 C -0.307352 -0.135541 -0.222492 C 0.358369 1.087390 -0.036125 C -2.780876 -0.746166 -0.566467 C 0.364736 -1.407518 -0.256459 C 2.499595 -0.036590 0.118374 C -1.739028 1.581542 -0.246702 C -3.729040 -0.809065 0.632700 C 2.402673 2.453738 0.323496 C 2.614577 -2.481526 -0.083795 H -3.354484 -0.441114 -1.459602 H -2.333406 -1.738743 -0.744223 H -2.685154 2.112042 -0.293770 H -4.455462 -1.630369 0.462211 H -3.159155 -1.015944 1.561109 H 3.479502 2.261153 0.434010 H 2.007914 2.951507 1.224805 H 2.217236 3.104583 -0.547111 H 1.937731 -3.335693 -0.230333 H 3.159079 -2.575733 0.869765 H 3.354327 -2.429401 -0.899226 H -4.954959 0.549960 1.526263