%chk=000100394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100394

0 1
 O   -2.769900       1.108400      0.3055000    
 O    2.015800      -1.435600     -0.1064000    
 O   -2.493200      -1.633500      0.1991000    
 O    1.941600       2.630700      2.8500000E-02
 O    3.113400      0.7797000     -0.1112000    
 N   -1.466400     -0.8957000      0.1516000    
 N  -0.2811000      -1.530700      4.9500000E-02
 N    2.014600       1.378700     -1.6500000E-02
 C   0.8182000      0.6170000      4.2100001E-02
 C  -0.4059000       1.249200      0.1469000    
 C   -1.555800      0.4772000      0.2016000    
 C   0.8254000     -0.7630000     -2.4999999E-03
 C   -3.702900      0.8731000     -0.7411000    
 C    1.946100      -2.855500     -0.1469000    
 H  -0.4977000       2.331100      0.1875000    
 H   -3.206100      0.6794000      -1.698100    
 H   -4.322400       1.767900     -0.8519000    
 H   -4.357800      3.7200000E-02 -0.4794000    
 H    2.967400      -3.239300     -0.2298000    
 H    1.386800      -3.197800      -1.024100    
 H    1.511300      -3.255300      0.7754000    


%chk=000100394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100394

0 1
O -2.737663 1.197639 0.189447
O 2.061706 -1.515054 -0.063669
O -2.556740 -1.577785 0.131085
O 1.941480 2.750185 0.032790
O 3.275139 0.893169 0.025254
N -1.468295 -0.857875 0.068056
N -0.255785 -1.525950 -0.004730
N 2.119206 1.462633 0.027903
C 0.908045 0.630229 0.026935
C -0.339827 1.281356 0.053154
C -1.534912 0.556427 0.066303
C 0.898577 -0.804014 -0.013221
C -3.866385 0.861156 -0.728856
C 1.957711 -3.000113 -0.094830
H -0.379641 2.372145 0.067925
H -3.553094 1.018985 -1.776776
H -4.652090 1.577657 -0.452891
H -4.188680 -0.177664 -0.566874
H 3.005444 -3.327762 -0.128587
H 1.401036 -3.325795 -0.988562
H 1.446169 -3.366370 0.809940


