%chk=000058633.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000058633 0 1 O 0.9110000 1.612900 0.5473000 N 3.182100 0.1266000 5.0999999E-02 N -0.3665000 -0.3479000 0.3586000 C 2.003100 -0.5378000 0.6054000 C 2.962200 0.4699000 -1.353500 C 4.362000 -0.7261000 0.1902000 C 0.8056000 0.3913000 0.5051000 C -1.687400 0.1442000 0.2323000 C -2.749100 -0.7356000 9.4800003E-02 C 4.170600 1.160100 -1.951700 C 4.647100 -1.046300 1.643000 C -2.547200 -2.215900 7.2499998E-02 C -1.886800 1.515800 0.2513000 C -4.043900 -0.2312000 -2.7100001E-02 C -2.320900 -2.747200 -1.339400 C -3.181600 2.020300 0.1297000 C -4.260100 1.146700 -9.6000005E-03 H 1.809200 -1.488800 9.4099998E-02 H 2.107400 -0.7372000 1.677300 H 2.725200 -0.4205000 -1.950700 H 2.124500 1.163000 -1.477200 H 4.264300 -1.657000 -0.3826000 H 5.258300 -0.2114000 -0.1703000 H -0.2593000 -1.356000 0.3263000 H 4.538000 1.968500 -1.310100 H 4.991600 0.4673000 -2.160900 H 3.896300 1.610000 -2.912900 H 4.630600 -0.1470000 2.268400 H 3.946300 -1.778200 2.056300 H 5.646300 -1.487300 1.733700 H -1.745900 -2.539800 0.7446000 H -3.443500 -2.703400 0.4803000 H -1.112700 2.260500 0.3547000 H -4.894300 -0.8988000 -0.1388000 H -3.164400 -2.506300 -1.995300 H -2.207700 -3.835700 -1.319200 H -1.415900 -2.320100 -1.784200 H -3.351700 3.093100 0.1429000 H -5.268100 1.539600 -0.1050000 %chk=000058633-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000058633 0 1 O 0.921066 1.553882 0.733325 N 3.192594 -0.166747 -0.035715 N -0.416095 -0.341658 0.329841 C 1.993913 -0.673128 0.637643 C 3.020500 -0.039464 -1.505824 C 4.435032 -0.866857 0.374389 C 0.799707 0.309361 0.561195 C -1.738022 0.194455 0.303863 C -2.822543 -0.705576 0.046872 C 3.995989 0.967371 -2.143692 C 4.861270 -0.554634 1.822165 C -2.598270 -2.185359 -0.248225 C -1.988318 1.574083 0.532995 C -4.136407 -0.182119 0.035979 C -2.127337 -2.454476 -1.705357 C -3.311835 2.060736 0.510807 C -4.394314 1.188088 0.263529 H 1.673633 -1.684042 0.253881 H 2.221812 -0.806412 1.711764 H 3.107522 -1.034045 -2.016955 H 1.991435 0.322777 -1.686813 H 4.348066 -1.977000 0.236171 H 5.239743 -0.530948 -0.302726 H -0.343889 -1.349146 0.172126 H 3.890736 1.948098 -1.649749 H 5.049987 0.646993 -2.058500 H 3.771686 1.084998 -3.220122 H 4.937168 0.536940 1.963908 H 4.148013 -0.947917 2.569406 H 5.845096 -1.011792 2.036163 H -1.876907 -2.636016 0.466571 H -3.546945 -2.727335 -0.081357 H -1.144034 2.239444 0.721377 H -4.971576 -0.867808 -0.154321 H -2.884392 -2.095427 -2.424443 H -1.973220 -3.535544 -1.877666 H -1.181745 -1.931263 -1.940016 H -3.491880 3.126726 0.688850 H -5.422537 1.565063 0.249959