%chk=000028770.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028770

0 1
 O   -2.583500      0.1487000      0.9078000    
 O    3.888700      0.7091000     -0.4790000    
 O   -2.948000     -0.5508000      -1.279400    
 N    2.115600     -0.6333000      0.2913000    
 N   -4.565300     -0.8652000      0.3538000    
 C    1.009000      0.2133000      0.2173000    
 C  -0.2495000     -0.2479000      0.6037000    
 C    4.342300      -1.560800      0.1846000    
 C   -1.355400      0.5989000      0.5305000    
 C    1.161300       1.521500     -0.2424000    
 C    3.448700     -0.3517000     -4.8400000E-02
 C   -1.203000       1.907000      7.0900001E-02
 C   5.5399999E-02   2.368300     -0.3157000    
 C    5.787600      -1.306000     -0.2041000    
 C   -3.341700     -0.4413000     -0.1220000    
 C   -5.562300      -1.509700     -0.4690000    
 H  -0.3759000      -1.266400      0.9638000    
 H    1.921500      -1.570900      0.6370000    
 H    4.289200      -1.830400       1.245400    
 H    3.949000      -2.400800     -0.3992000    
 H    2.101300       1.950900     -0.5591000    
 H   -2.060200       2.572000      1.1900000E-02
 H   0.1726000       3.387200     -0.6734000    
 H    5.869400      -1.045300      -1.264400    
 H    6.393900      -2.199000     -2.3600001E-02
 H    6.211800     -0.4813000      0.3781000    
 H   -4.776700     -0.7157000       1.335500    
 H   -5.777300      -2.490800     -3.8500000E-02
 H   -5.216400      -1.624100      -1.498900    
 H   -6.468400     -0.8994000     -0.4475000    


%chk=000028770-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028770

0 1
O -2.742395 0.544113 0.010562
O 4.009977 0.802492 0.301616
O -2.539410 -1.838219 -0.092177
N 2.069181 -0.515113 0.167099
N -4.600606 -0.713269 -0.149036
C 1.034344 0.465086 0.169324
C -0.297065 -0.028349 0.089546
C 4.259496 -1.639694 0.274514
C -1.363411 0.892100 0.087813
C 1.289297 1.858843 0.245527
C 3.452224 -0.333273 0.241740
C -1.135728 2.285097 0.164978
C 0.192647 2.748616 0.242971
C 5.535184 -1.544470 -0.590172
C -3.230642 -0.789592 -0.079448
C -5.442816 -1.907644 -0.248140
H -0.504072 -1.099659 0.030656
H 1.748043 -1.484508 0.108987
H 4.547964 -1.818020 1.329818
H 3.640359 -2.503258 -0.037718
H 2.318240 2.215735 0.302711
H -1.988338 2.969564 0.161830
H 0.380858 3.825965 0.302245
H 5.286212 -1.470412 -1.663700
H 6.174733 -2.432417 -0.442350
H 6.107442 -0.643505 -0.312490
H -5.018284 0.217296 -0.128692
H -6.129958 -1.985306 0.614362
H -4.783493 -2.789766 -0.254550
H -6.036282 -1.902331 -1.180824


