%chk=000058818.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058818

0 1
 O   0.2917000      0.9641000      0.2167000    
 O  -0.2208000       1.304200       2.436400    
 O   -2.358100     -0.2533000       2.312400    
 N    3.835400       1.531600     -0.7955000    
 C    2.384900       1.362600     -0.9344000    
 C    4.295600      0.2197000     -0.3257000    
 C    2.361000      8.3600000E-02  -1.787500    
 C    3.632100     -0.6757000      -1.380400    
 C    1.687600       1.162200      0.4284000    
 C    3.786800     -0.1136000       1.092300    
 C    2.261600     -2.8000001E-02   1.207000    
 C    4.272400       2.673500     -1.4700000E-02
 C  -0.4698000      0.8044000       1.345600    
 C   -1.683500     -7.9499997E-02   1.063200    
 C   -2.633500      0.6284000      9.8999999E-02
 C   -1.246200      -1.415800      0.6096000    
 C   -2.525400      0.3652000      -1.248600    
 C   -3.564700       1.504300      0.6114000    
 C   -3.393100       1.011400      -2.129100    
 C   -4.432400       2.150300     -0.2692000    
 C  -0.8879000      -2.504300      0.2481000    
 C   -4.346500       1.903800      -1.639400    
 C  -0.4663000      -3.792800     -0.1954000    
 C  -0.7748000      -4.210900      -1.602900    
 C   0.1936000      -4.595800      0.6524000    
 H    1.916100       2.184700      -1.487300    
 H    5.386200      0.1275000     -0.3690000    
 H    2.416400      0.3336000      -2.854400    
 H    1.460800     -0.5210000      -1.638000    
 H    3.405600      -1.679600      -1.006500    
 H    4.283300     -0.7871000      -2.256300    
 H    1.805100       2.079800       1.018300    
 H    4.245100      0.5650000       1.821400    
 H    4.109400      -1.123700       1.372700    
 H    1.822000     -0.9634000      0.8387000    
 H    1.985700      2.0800000E-02   2.266500    
 H    5.366100       2.736800     -2.5300000E-02
 H    3.951600       2.657300       1.030500    
 H    3.900300       3.600500     -0.4646000    
 H   -1.756300     -0.7108000       2.925100    
 H   -1.781500     -0.3068000      -1.663600    
 H   -3.640900       1.724100       1.671500    
 H   -3.323000      0.8237000      -3.196600    
 H   -5.172400       2.848300      0.1114000    
 H   -5.020700       2.408400      -2.325200    
 H  -0.3141000      -3.518600      -2.315900    
 H  -0.4016000      -5.216000      -1.826500    
 H   -1.856800      -4.212000      -1.772400    
 H   0.5291000      -5.581800      0.3476000    
 H   0.4175000      -4.292100       1.670700    


%chk=000058818-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058818

0 1
O 0.430857 0.370821 0.354640
O -0.133516 0.492052 2.616623
O -2.668826 -0.274476 2.194678
N 3.665461 2.176348 -0.417654
C 2.276736 1.676735 -0.624690
C 4.488399 0.930327 -0.484428
C 2.453383 0.776704 -1.877888
C 3.938538 0.277088 -1.787305
C 1.832622 0.868439 0.624078
C 4.247156 0.028575 0.763375
C 2.742379 -0.350258 0.890777
C 3.925938 3.140056 0.662372
C -0.408696 0.220328 1.420563
C -1.804496 -0.383228 1.013574
C -2.441428 0.428642 -0.130627
C -1.570066 -1.802352 0.667298
C -2.208778 0.090116 -1.483944
C -3.235249 1.556271 0.184247
C -2.763378 0.877095 -2.516908
C -3.789766 2.341902 -0.850640
C -1.361551 -3.004294 0.462795
C -3.553804 2.007538 -2.204172
C -1.178978 -4.401936 0.171442
C -2.078526 -4.988590 -0.909031
C -0.250017 -5.150127 0.839731
H 1.574676 2.513148 -0.790262
H 5.559445 1.193657 -0.561466
H 2.299524 1.382162 -2.786062
H 1.718401 -0.046142 -1.893071
H 4.012403 -0.824818 -1.753018
H 4.519773 0.626868 -2.656790
H 1.775570 1.524791 1.512312
H 4.585169 0.563628 1.672784
H 4.854143 -0.894270 0.693589
H 2.493913 -1.132178 0.148945
H 2.527645 -0.769988 1.890428
H 4.967474 3.500695 0.577262
H 3.788256 2.757632 1.702365
H 3.258576 4.011755 0.535374
H -2.066003 -0.223732 2.989686
H -1.598309 -0.786587 -1.725025
H -3.434862 1.787640 1.234359
H -2.582145 0.607635 -3.563582
H -4.410635 3.209491 -0.600233
H -3.986231 2.616361 -3.006307
H -1.934496 -4.461056 -1.870206
H -1.866663 -6.060377 -1.060955
H -3.143151 -4.874262 -0.633969
H -0.117972 -6.215084 0.618894
H 0.383807 -4.713544 1.618542


