%chk=000046466.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046466

0 1
 O   -2.121900      -1.689300      1.2500000E-02
 O   -3.773100       2.006600     -0.1025000    
 O   -4.019700     -0.1707000      8.7700002E-02
 N    3.177300       1.202800      0.2771000    
 N   -3.302100      0.8464000     -5.5399999E-02
 C    2.408200      0.2405000     -0.5192000    
 C    2.921400      -1.159600     -0.1453000    
 C    2.048600      -2.238200     -0.7709000    
 C   0.9005000      0.3817000     -0.3703000    
 C   0.6354000      -2.150900     -0.2055000    
 C   7.0799999E-02 -0.7528000     -0.2509000    
 C   -1.319800     -0.5909000     -0.1315000    
 C   0.2962000       1.650500     -0.4358000    
 C   -1.895200      0.6769000     -0.1697000    
 C    4.609100      0.9969000      7.5099997E-02
 C    2.833200       1.078800       1.691200    
 C   -1.087900       1.796700     -0.3295000    
 C   -2.381100      -2.125500       1.342900    
 H    2.615700      0.4120000      -1.585200    
 H    2.938900      -1.361900      0.9298000    
 H    3.935600      -1.328800     -0.5257000    
 H    2.466300      -3.230800     -0.5676000    
 H    2.028600      -2.114400      -1.861100    
 H   0.6462000      -2.485400      0.8390000    
 H   1.6000000E-03  -2.841300     -0.7744000    
 H   0.9041000       2.542200     -0.5712000    
 H    5.148900       1.866900      0.4686000    
 H    4.864000      0.9446000     -0.9898000    
 H    5.022600      0.1224000      0.5897000    
 H    3.296400       1.915300       2.230500    
 H    3.202400      0.1726000       2.180600    
 H    1.763400       1.174000       1.899100    
 H   -1.494200       2.803900     -0.3777000    
 H   -3.327000      -2.674800       1.347800    
 H   -2.456100      -1.289800       2.047200    
 H   -1.589600      -2.805600       1.670100    


%chk=000046466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046466

0 1
O -2.218073 -1.713877 -0.137167
O -3.691893 2.119870 -0.636107
O -4.078715 0.247142 0.601038
N 3.197717 1.177029 0.313302
N -3.290857 1.039394 -0.047541
C 2.459893 0.080002 -0.371101
C 2.897928 -1.363101 0.005560
C 1.999650 -2.389249 -0.714353
C 0.937783 0.271020 -0.235727
C 0.548300 -2.277373 -0.204139
C 0.048661 -0.837301 -0.162803
C -1.356654 -0.606120 -0.077978
C 0.417648 1.591341 -0.253282
C -1.849186 0.728851 -0.103770
C 4.574194 1.371194 -0.176534
C 3.108100 1.176433 1.786267
C -0.962597 1.825922 -0.205912
C -2.621976 -2.319126 1.152581
H 2.689065 0.208201 -1.452672
H 2.817681 -1.512306 1.100509
H 3.959127 -1.507837 -0.269969
H 2.371704 -3.418005 -0.551919
H 2.030098 -2.204607 -1.807265
H 0.496160 -2.711154 0.816702
H -0.143403 -2.878275 -0.821686
H 1.132346 2.418670 -0.298505
H 4.977157 2.316033 0.232264
H 4.570789 1.452267 -1.278744
H 5.283133 0.554431 0.107734
H 3.487058 2.139787 2.173890
H 3.694733 0.362036 2.276571
H 2.053718 1.078237 2.097909
H -1.377398 2.836687 -0.244917
H -3.248145 -3.181146 0.878815
H -3.210678 -1.593892 1.737521
H -1.735365 -2.660178 1.721129


