%chk=000039522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039522

0 1
 O   -4.262200      -1.216700     -0.1466000    
 O   -4.421700      0.9922000     -0.6585000    
 N   -1.752800      -1.105400      0.3545000    
 C    4.219400     -0.3204000     -7.5499997E-02
 C    2.702700     -0.3116000     -0.3538000    
 C    1.813500      1.8000000E-03  0.8575000    
 C    4.650000       1.042300      0.4755000    
 C    5.038800     -0.6506000      -1.323900    
 C   0.3403000      5.3599998E-02  0.5393000    
 C  -0.2481000       1.241900      0.1579000    
 C  -0.4288000      -1.082800      0.6261000    
 C   -1.608400       1.258600     -0.1297000    
 C   -2.309700      6.8999998E-02 -1.7400000E-02
 C   -3.733000      2.8000001E-02 -0.3053000    
 H    4.433100      -1.083800      0.6828000    
 H    2.416300      -1.291800     -0.7577000    
 H    2.489600      0.4132000      -1.151300    
 H    2.090000      0.9650000       1.301300    
 H    1.990400     -0.7445000       1.643000    
 H    5.740700       1.093000      0.5685000    
 H    4.243200       1.221100       1.475000    
 H    4.332100       1.859500     -0.1809000    
 H    4.753200      -1.629100      -1.724000    
 H    4.881700      9.5399998E-02  -2.110400    
 H    6.108700     -0.6822000      -1.093000    
 H   0.3300000       2.157700      7.6800004E-02
 H  -8.3999997E-03  -2.039000      0.9200000    
 H   -2.086300       2.184600     -0.4315000    
 H   -5.223100      -1.232400     -0.3441000    


%chk=000039522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039522

0 1
O -4.432487 -1.267624 -0.140258
O -4.438639 0.954093 -0.804076
N -1.769651 -1.160593 0.476467
C 4.236665 -0.280544 -0.083087
C 2.713102 -0.165606 -0.357322
C 1.849318 0.030632 0.922542
C 4.822211 1.012519 0.534530
C 4.983109 -0.644632 -1.388966
C 0.366413 0.058849 0.611025
C -0.271622 1.222233 0.107636
C -0.444599 -1.098796 0.774704
C -1.643761 1.186383 -0.206981
C -2.355287 -0.025213 -0.011675
C -3.812665 -0.041462 -0.356415
H 4.388349 -1.109082 0.642310
H 2.368585 -1.082294 -0.876918
H 2.530744 0.677331 -1.055873
H 2.140933 0.974682 1.420448
H 2.070656 -0.792142 1.630164
H 5.912341 0.913404 0.690011
H 4.368032 1.250464 1.513434
H 4.655541 1.875701 -0.139184
H 4.596978 -1.584655 -1.825401
H 4.861606 0.154847 -2.145305
H 6.066090 -0.773342 -1.206763
H 0.302448 2.145980 -0.029391
H -0.004032 -2.023392 1.169529
H -2.178033 2.058723 -0.593558
H -5.391144 -1.179863 -0.397029


