%chk=000057595.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057595

0 1
 O   -1.459100       2.426300      0.3571000    
 O   0.8906000      0.9737000     -4.4399999E-02
 O  -0.1879000      0.5737000       2.056800    
 N    4.557200      0.6577000     -0.1286000    
 C   -1.497800       1.032400      3.6699999E-02
 C   -1.525300      0.8703000      -1.491700    
 C   -2.762300      0.4352000      0.6733000    
 C  -0.2449000      0.3831000      0.6273000    
 C   -2.810000       1.424400      -2.109800    
 C   -4.044000      0.9883000      4.7699999E-02
 C   -4.051100      0.8134000      -1.467500    
 C  -0.3281000      -1.123900      0.3268000    
 C    2.159900      0.4373000      0.3140000    
 C   0.2199000      -1.584400     -0.8435000    
 C  -0.9461000      -1.936500       1.242900    
 C  -0.1079000       1.921400       2.499300    
 C    3.237400       1.162600     -0.4763000    
 C   0.1447000      -2.950300      -1.116000    
 C   -1.021400      -3.302400      0.9703000    
 C  -0.4759000      -3.809400     -0.2091000    
 C    5.599000       1.384500     -0.8584000    
 C    4.653200     -0.7774000     -0.4068000    
 H   -1.499800     -0.1740000      -1.805900    
 H  -0.6808000       1.387800      -1.962200    
 H   -2.798900      0.6396000       1.749700    
 H   -2.841700     -0.6430000      0.5274000    
 H   -2.835900       2.514700      -1.992700    
 H   -2.817200       1.223000      -3.187300    
 H   -4.914000      0.4806000      0.4800000    
 H   -4.145700       2.052300      0.2938000    
 H   -4.950100       1.278100      -1.887800    
 H   -4.100400     -0.2550000      -1.711800    
 H  -0.7092000       2.820800     -0.1207000    
 H    2.197800     -0.6345000      0.1398000    
 H    2.324400      0.6026000       1.385700    
 H   0.6943000     -0.9456000      -1.581500    
 H   -1.369200      -1.571200       2.172900    
 H   0.3527000       1.903900       3.492600    
 H   -1.104900       2.347300       2.637300    
 H   0.5269000       2.546400       1.865200    
 H    3.032400       1.066000      -1.551300    
 H    3.168200       2.234900     -0.2511000    
 H   0.5658000      -3.344700      -2.036200    
 H   -1.502900      -3.971800       1.677300    
 H  -0.5349000      -4.872800     -0.4216000    
 H    5.549600       2.455900     -0.6336000    
 H    5.510200       1.254600      -1.943200    
 H    6.594300       1.046400     -0.5492000    
 H    4.105200      -1.374400      0.3285000    
 H    5.693400      -1.114300     -0.3168000    
 H    4.309900      -1.034000      -1.415700    


%chk=000057595-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057595

0 1
O -1.312929 2.456109 0.077900
O 0.833456 0.904268 -0.082113
O -0.249250 0.343535 2.005212
N 4.574626 0.789952 -0.185130
C -1.565861 1.003265 -0.078022
C -1.748584 0.694801 -1.590667
C -2.866356 0.692266 0.692712
C -0.323781 0.235569 0.550232
C -2.945841 1.479106 -2.176828
C -4.073706 1.458153 0.102925
C -4.249049 1.163809 -1.405370
C -0.321348 -1.274020 0.276222
C 2.167676 0.494266 0.414218
C 0.233142 -1.783340 -0.925281
C -0.888892 -2.177613 1.208078
C -0.140247 1.683343 2.611607
C 3.177562 0.966857 -0.641691
C 0.217425 -3.169312 -1.192553
C -0.909168 -3.564379 0.938462
C -0.358120 -4.066390 -0.262816
C 5.523918 1.610021 -0.965421
C 4.994186 -0.626320 -0.125856
H -1.924043 -0.388853 -1.727553
H -0.815074 0.948828 -2.128267
H -2.735079 0.940921 1.760348
H -3.051077 -0.397878 0.632237
H -2.736147 2.563710 -2.109052
H -3.060376 1.228803 -3.249603
H -4.990868 1.183149 0.659402
H -3.911736 2.543207 0.246655
H -5.090079 1.756058 -1.815121
H -4.508905 0.093046 -1.544612
H -0.371288 2.590593 -0.216161
H 2.184953 -0.601746 0.553233
H 2.382311 0.977913 1.384455
H 0.680453 -1.088944 -1.644829
H -1.290758 -1.786335 2.146493
H 0.119633 1.483566 3.664194
H -1.086223 2.244374 2.538893
H 0.658337 2.278579 2.132396
H 2.972202 0.440231 -1.609616
H 3.006197 2.045348 -0.817462
H 0.652419 -3.547758 -2.124522
H -1.350544 -4.252312 1.668534
H -0.372682 -5.142434 -0.470010
H 5.229465 2.673254 -0.913069
H 5.582815 1.319112 -2.045471
H 6.536301 1.515046 -0.533334
H 4.350075 -1.193575 0.567048
H 6.029144 -0.686059 0.254853
H 4.961313 -1.134189 -1.124180


