%chk=000026545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026545

0 1
 O  -0.2533000      -1.752700     -0.2323000    
 O   0.7608000      -1.794200      -2.298500    
 N   -5.002200      -1.642500      0.7149000    
 C    2.122700      0.7307000     -0.3560000    
 C    1.160500       1.313800      0.6961000    
 C    2.701300     -0.5946000      1.9400001E-02
 C   -2.600400      -1.716200      0.2442000    
 C   -4.005800      -1.690900     -0.3482000    
 C    2.089000      -1.785100     -0.3184000    
 C   -1.535800      -1.744900     -0.8442000    
 C   0.5592000       2.635800      0.2853000    
 C    3.899100     -0.6292000      0.7335000    
 C   0.8136000      -1.778000      -1.078500    
 C    2.626300      -3.009600      2.8999999E-02
 C    4.460600      -1.853900       1.095200    
 C    1.210700       3.812300      0.6210000    
 C  -0.6335000       2.650000     -0.4209000    
 C   -6.352900      -1.583500      0.1534000    
 C   -4.766400     -0.4934000       1.591000    
 C    3.824100      -3.043900      0.7430000    
 C   0.6553000       5.034100      0.2412000    
 C   -1.188800       3.871900     -0.8007000    
 C  -0.5443000       5.064000     -0.4696000    
 H    1.621400      0.6692000      -1.330300    
 H    2.942000       1.443900     -0.5259000    
 H   0.3518000      0.6036000      0.9098000    
 H    1.687300       1.436700       1.652300    
 H   -2.385300     -0.8309000      0.8527000    
 H   -2.471800      -2.582800      0.9055000    
 H   -4.106000     -0.8311000      -1.024000    
 H   -4.152800      -2.596500     -0.9499000    
 H   -1.627900     -0.8595000      -1.484400    
 H   -1.652100      -2.645500      -1.458600    
 H    4.405100      0.2900000       1.017000    
 H    2.135800      -3.940000     -0.2421000    
 H    5.392800      -1.880900       1.651600    
 H    2.146500       3.798900       1.172400    
 H   -1.141500       1.726800     -0.6843000    
 H   -6.541900      -2.453300     -0.4858000    
 H   -6.515000     -0.6766000     -0.4405000    
 H   -7.103900      -1.613500      0.9508000    
 H   -5.615600     -0.3531000       2.271500    
 H   -4.634400      0.4416000       1.034000    
 H   -3.908200     -0.6520000       2.251400    
 H    4.261100      -3.997400       1.024800    
 H    1.157300       5.962200      0.4984000    
 H   -2.122800       3.895200      -1.354600    
 H  -0.9766000       6.015300     -0.7656000    


%chk=000026545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026545

0 1
O -0.120441 -1.664528 -0.369375
O 0.645501 -3.709961 -1.163348
N -4.893285 -0.769724 0.612686
C 1.814556 0.473843 -0.468481
C 1.138713 1.015478 0.829912
C 2.692852 -0.742417 -0.204591
C -2.460463 -1.197725 0.110914
C -3.932594 -1.488320 -0.255510
C 2.271128 -2.105874 -0.310579
C -1.515128 -2.119193 -0.661599
C 0.384899 2.322073 0.616733
C 4.046130 -0.500630 0.156172
C 0.896296 -2.577834 -0.676349
C 3.203173 -3.158258 -0.079332
C 4.956747 -1.545749 0.411522
C 0.673665 3.462707 1.409149
C -0.632982 2.433280 -0.368954
C -6.269809 -1.279898 0.442012
C -4.833482 0.699373 0.465189
C 4.533211 -2.889623 0.288075
C -0.031555 4.675456 1.230045
C -1.340703 3.641279 -0.552235
C -1.043766 4.769614 0.248227
H 1.029253 0.237100 -1.203747
H 2.440981 1.279435 -0.896644
H 0.451004 0.231231 1.198074
H 1.914059 1.157927 1.606449
H -2.203205 -0.147152 -0.113884
H -2.327895 -1.346132 1.197812
H -4.096197 -1.250718 -1.342318
H -4.125925 -2.572766 -0.134097
H -1.669888 -2.060001 -1.756198
H -1.611203 -3.177036 -0.358005
H 4.387261 0.539671 0.224743
H 2.852031 -4.188135 -0.199897
H 5.991130 -1.315313 0.690411
H 1.456704 3.398169 2.175019
H -0.868488 1.569152 -1.002625
H -6.292575 -2.366222 0.641938
H -6.685706 -1.107849 -0.584170
H -6.940569 -0.785598 1.167285
H -5.565640 1.163928 1.149084
H -5.064506 1.045484 -0.576137
H -3.835047 1.078772 0.739949
H 5.231514 -3.713139 0.470433
H 0.208760 5.543479 1.854782
H -2.121541 3.704796 -1.319201
H -1.591874 5.707848 0.106760


