%chk=000124912.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124912 0 1 O -2.272700 1.2500000E-02 0.4941000 O 2.269300 -1.8700000E-02 0.5039000 O 0.1282000 1.430600 -1.752500 O -0.1202000 -1.380100 -1.788300 O -3.886300 -2.113000 -0.5663000 O -4.065300 1.846800 1.786100 O 3.888500 2.124800 -0.5107000 O 4.058900 -1.892600 1.742500 O -2.522400 1.094800 -1.529700 O 2.528200 -1.050300 -1.545700 N -3.681600 -7.1199998E-02 0.5283000 N 3.678900 5.7700001E-02 0.5340000 C -5.812500 -0.8513000 0.1799000 C -5.871900 0.4634000 0.9608000 C 5.811800 0.8361000 0.1956000 C 5.868500 -0.4976000 0.9435000 C -0.3070000 0.7110000 -0.6066000 C 0.3094000 -0.6893000 -0.6227000 C -4.345600 -1.125500 -1.3600000E-02 C -4.435400 0.8614000 1.166900 C 4.345500 1.121900 1.5400000E-02 C 4.431000 -0.8939000 1.146100 C -1.823700 0.6523000 -0.6267000 C 1.826300 -0.6301000 -0.6343000 H -6.303500 -0.7581000 -0.7931000 H -6.271400 -1.668700 0.7437000 H -6.361800 0.3279000 1.929400 H -6.393600 1.239500 0.3933000 H 6.298300 0.7648000 -0.7816000 H 6.277000 1.637300 0.7772000 H 6.363200 -0.3882000 1.913000 H 6.384100 -1.261800 0.3547000 H 1.6000000E-03 1.286100 0.2725000 H -8.1000002E-03 -1.278300 0.2450000 H -7.5999998E-02 0.8940000 -2.537600 H 0.1988000 -2.296300 -1.719900 %chk=000124912-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000124912 0 1 O -2.123830 0.505417 0.368830 O 2.083473 0.068717 0.222887 O -0.003756 1.571734 -2.421848 O -0.100769 -1.151559 -2.483854 O -3.207876 -2.148761 0.279668 O -4.257586 2.381251 1.053832 O 3.967154 2.248772 -0.172637 O 3.503854 -2.213659 1.286572 O -2.767555 0.857502 -1.890631 O 2.587242 -1.042748 -1.804135 N -3.481199 0.175280 0.640018 N 3.479637 0.028786 0.518671 C -5.407257 -1.130689 0.959234 C -5.755009 0.366537 1.191668 C 5.703582 0.716882 0.808217 C 5.560180 -0.763913 1.259953 C -0.356325 0.886440 -1.209766 C 0.242265 -0.566001 -1.198534 C -3.924521 -1.173719 0.580605 C -4.459299 1.156372 0.970135 C 4.323193 1.159322 0.308964 C 4.090327 -1.139661 1.056998 C -1.879296 0.773959 -1.046115 C 1.759814 -0.554270 -1.024574 H -5.991820 -1.585919 0.142244 H -5.561930 -1.751916 1.857857 H -6.125559 0.570718 2.210323 H -6.514494 0.742292 0.485384 H 6.430689 0.848706 -0.010362 H 6.010698 1.386798 1.629367 H 5.824974 -0.920198 2.319250 H 6.180627 -1.453554 0.662770 H 0.054277 1.467604 -0.369583 H -0.192879 -1.146453 -0.361181 H -0.261580 0.981305 -3.181531 H 0.679051 -1.653475 -2.842098