%chk=000037431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037431

0 1
 O  -0.6267000      -1.411400       1.796300    
 O   -4.687400       2.153900      -1.102900    
 O    2.304400      -1.785100       2.059900    
 N    1.988300      -1.296900     -0.2279000    
 N   -3.135300      0.7950000      0.8583000    
 C   0.1578000      -2.229100      0.9500000    
 C  -0.1825000      -1.953800     -0.4865000    
 C    1.623800      -1.760300       1.044600    
 C   0.9260000      -1.407600      -1.135200    
 C   2.1900000E-02  -3.695500       1.333900    
 C   -2.771500      0.4917000       2.240800    
 C   -1.294100      0.7885000       2.476700    
 C  -0.4050000     -2.7200000E-02   1.547800    
 C    3.291800     -0.7729000     -0.5608000    
 C   -2.925500       2.219400      0.5639000    
 C   -4.533200      0.4269000      0.5938000    
 C   -1.369500      -2.162900      -1.168200    
 C   0.8885000      -1.057200      -2.474000    
 C   -3.323700       2.514500     -0.8793000    
 C   -4.892700      0.7635000     -0.8505000    
 C   -1.425400      -1.815400      -2.520300    
 C    3.372100      0.7111000     -0.3466000    
 C  -0.3053000      -1.267300      -3.167700    
 C    3.044100       1.574300      -1.385400    
 C    3.773100       1.206900      0.8885000    
 C    3.118600       2.952900      -1.186500    
 C    3.847400       2.585500       1.087400    
 C    3.520100       3.458500      4.9800001E-02
 H   0.3194000      -3.850900       2.377300    
 H   0.6440000      -4.341700      0.7048000    
 H   -1.018100      -4.030700       1.251300    
 H   -3.375300       1.074800       2.948400    
 H   -2.968500     -0.5660000       2.455800    
 H   -1.055800       1.854400       2.413100    
 H   -1.069600      0.4977000       3.511800    
 H   0.6225000      0.2593000       1.795300    
 H  -0.6051000      0.2624000      0.5126000    
 H    4.033200      -1.269100      7.8800000E-02
 H    3.561100      -1.042900      -1.588600    
 H   -3.521800       2.842900       1.242600    
 H   -1.877100       2.515100      0.6566000    
 H   -4.680400     -0.6471000      0.7547000    
 H   -5.204400      0.9687000       1.272900    
 H   -2.237800      -2.581800     -0.6712000    
 H    1.745800     -0.6583000      -3.000000    
 H   -3.226200       3.585900      -1.082200    
 H   -2.682600       1.981900      -1.592800    
 H   -4.304300      0.1714000      -1.562200    
 H   -5.949800      0.5448000      -1.032300    
 H   -2.345200      -1.969200      -3.078300    
 H  -0.3690000      -1.009100      -4.221400    
 H    2.750300       1.205800      -2.361400    
 H    4.031100      0.5380000       1.704600    
 H    2.868400       3.632800      -1.995700    
 H    4.160100       2.979300       2.050100    
 H    3.578900       4.531900      0.2043000    


%chk=000037431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037431

0 1
O -0.745913 -1.436954 1.905247
O -5.134151 2.101396 -0.848067
O 2.316101 -1.884875 2.176155
N 2.124295 -1.281225 -0.103216
N -3.506182 0.788945 1.169409
C 0.116486 -2.115970 0.928897
C -0.122986 -1.704992 -0.521659
C 1.634916 -1.756250 1.126710
C 1.092714 -1.237218 -1.085876
C -0.094280 -3.615684 1.199399
C -3.133786 0.216623 2.486423
C -1.685924 0.552273 2.905712
C -0.645184 0.039140 1.906929
C 3.531459 -0.917576 -0.316310
C -3.729512 2.255887 1.197067
C -4.671783 0.106352 0.554563
C -1.290202 -1.737904 -1.295193
C 1.176667 -0.811161 -2.423432
C -3.980700 2.775706 -0.228701
C -4.903149 0.646867 -0.865878
C -1.230578 -1.312123 -2.648847
C 3.762440 0.568698 -0.584040
C -0.009030 -0.859444 -3.200795
C 4.630326 0.980046 -1.624287
C 3.148046 1.553231 0.229418
C 4.885929 2.352642 -1.848235
C 3.398337 2.924107 0.005685
C 4.268827 3.329119 -1.033962
H 0.228437 -3.842954 2.229095
H 0.484949 -4.233756 0.492276
H -1.165038 -3.859877 1.091385
H -3.836504 0.547413 3.292965
H -3.216115 -0.882560 2.408753
H -1.551312 1.645523 3.023026
H -1.491936 0.097749 3.895890
H 0.376872 0.337359 2.223597
H -0.858373 0.431663 0.893040
H 4.051217 -1.222082 0.613067
H 3.943510 -1.520774 -1.148307
H -4.603298 2.521909 1.845938
H -2.836098 2.759112 1.610851
H -4.466606 -0.980165 0.508491
H -5.604688 0.255322 1.155835
H -2.235028 -2.077400 -0.856440
H 2.110931 -0.434621 -2.850110
H -4.235375 3.848580 -0.224084
H -3.073221 2.606695 -0.847952
H -4.016132 0.418051 -1.496503
H -5.809163 0.211133 -1.319263
H -2.133007 -1.331818 -3.269199
H 0.024146 -0.530669 -4.245549
H 5.112118 0.225600 -2.259743
H 2.477598 1.242766 1.039610
H 5.560323 2.658070 -2.656099
H 2.919403 3.676928 0.641905
H 4.463106 4.393449 -1.206792


