%chk=000003826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003826

0 1
 O   -4.594400       1.694300      0.6581000    
 O   -3.005700       1.762100     -0.9844000    
 O    1.816200      -2.354500      0.6129000    
 N  -0.9658000     -0.7134000      0.2798000    
 C   -3.258800     -0.2292000      0.3050000    
 C   -2.718100     -0.3010000       1.757500    
 C   -1.179900     -0.2786000       1.645500    
 C   -2.096600     -0.6898000     -0.4819000    
 C   0.1018000      -1.145000     -0.4209000    
 C   -1.764300      -1.123300      -1.738500    
 C  -0.3638000      -1.410700      -1.699500    
 C   -3.590000       1.173800     -8.7099999E-02
 C    1.427600      -1.282900      9.1300003E-02
 C    2.450300     -0.1751000      4.8400000E-02
 C    2.082100       1.019000     -0.5097000    
 C    3.690800     -0.4242000      0.5705000    
 C    3.027700       2.043600     -0.5492000    
 C    4.636300      0.6006000      0.5310000    
 C    4.304600       1.834400     -2.8800000E-02
 H   -4.134800     -0.8679000      0.1583000    
 H   -3.022600      -1.259000       2.199800    
 H   -3.084700      0.4916000       2.417300    
 H  -0.7724000      0.7321000       1.740100    
 H  -0.6933000     -0.9720000       2.335300    
 H   -2.429300      -1.227300      -2.583800    
 H   0.2357000      -1.775700      -2.522600    
 H   -4.806400       2.615200      0.3953000    
 H    1.098300       1.214300     -0.9210000    
 H    3.972900      -1.374500       1.011200    
 H    2.769800       3.004600     -0.9845000    
 H    5.630900      0.4383000      0.9362000    
 H    5.040900       2.632300     -5.9300002E-02


%chk=000003826-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003826

0 1
O -4.942482 0.845510 -0.911354
O -4.278874 1.688239 1.150492
O 1.362355 -0.601650 2.034078
N -1.159367 -0.389575 0.681645
C -3.516141 -0.566931 0.424711
C -3.116267 -0.899528 1.902591
C -1.645066 -0.411458 2.081554
C -2.167170 -0.461282 -0.260863
C 0.081251 -0.225057 0.050877
C -1.596749 -0.364309 -1.545599
C -0.189660 -0.220896 -1.350412
C -4.262606 0.764371 0.309938
C 1.337177 -0.222723 0.809508
C 2.610252 0.215112 0.137669
C 2.645647 1.203878 -0.882105
C 3.831675 -0.337323 0.608497
C 3.879954 1.616525 -1.430794
C 5.061295 0.065144 0.050447
C 5.088970 1.042786 -0.973968
H -4.148123 -1.346362 -0.032890
H -3.166142 -1.992473 2.044963
H -3.790366 -0.416388 2.626973
H -1.595220 0.605283 2.509972
H -1.021376 -1.078975 2.692631
H -2.130538 -0.400110 -2.492747
H 0.567704 -0.176062 -2.130772
H -5.382488 1.735622 -0.988709
H 1.716435 1.677215 -1.214820
H 3.789522 -1.073904 1.417721
H 3.899299 2.390692 -2.205946
H 5.996852 -0.375071 0.412779
H 6.045249 1.361800 -1.403764


