%chk=000039260.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039260

0 1
 O    2.070900      0.3469000      -1.771500    
 O  -0.6777000     -0.5883000      -2.249400    
 N  -0.9857000       1.199600     -0.7399000    
 N   -4.309400      -1.270500      0.7183000    
 C    1.129900      0.1264000     -0.7394000    
 C    1.073000       1.263900      0.2456000    
 C  -0.1909000       1.855900      0.2096000    
 C  -0.2821000      0.1591000      -1.365700    
 C   -2.354600       1.549700      -1.036700    
 C    1.396400      -1.197000     -0.1092000    
 C   -3.350300      0.8603000     -0.1058000    
 C    2.055200       1.743800       1.096200    
 C  -0.5171000       2.929200       1.020500    
 C   -3.331400     -0.6691000     -0.1803000    
 C   0.5153000      -1.706700      0.8457000    
 C    2.527500      -1.929600     -0.4730000    
 C    1.743000       2.826600       1.922000    
 C   0.4670000       3.413400       1.885000    
 C    1.866900       1.600800      -2.414400    
 C   0.7646000      -2.945800       1.435600    
 C    2.776600      -3.168800      0.1170000    
 C    1.895200      -3.676800       1.071400    
 C   -4.282400      -2.723000      0.6185000    
 H   -2.567700       1.249000      -2.069600    
 H   -2.473600       2.637600     -0.9931000    
 H   -4.356800       1.219400     -0.3561000    
 H   -3.155700       1.170800      0.9288000    
 H    3.042000       1.294800       1.126700    
 H   -1.496900       3.392100       1.001700    
 H   -2.338800      -1.037200      8.7099999E-02
 H   -3.533300     -0.9757000      -1.214100    
 H  -0.3607000      -1.150800       1.164100    
 H    3.244500      -1.571600      -1.205800    
 H    2.494800       3.220900       2.600500    
 H   0.2455000       4.254800       2.536300    
 H    2.066100       2.451000      -1.756400    
 H   0.8853000       1.688300      -2.888300    
 H    2.603900       1.662200      -3.222400    
 H   8.0799997E-02  -3.339300       2.182000    
 H    3.657700      -3.737800     -0.1649000    
 H   -5.242300     -0.9322000      0.4839000    
 H    2.090000      -4.641000       1.531800    
 H   -5.018200      -3.148900       1.307600    
 H   -3.301600      -3.121900      0.8977000    
 H   -4.532700      -3.061700     -0.3922000    


%chk=000039260-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039260

0 1
O 2.381601 0.464487 -1.600272
O -0.451144 -0.367342 -2.499356
N -0.960427 1.232999 -0.832075
N -4.245961 -1.315718 0.694436
C 1.241080 0.256802 -0.698016
C 1.050708 1.367696 0.327537
C -0.265403 1.888198 0.223013
C -0.135989 0.299953 -1.483175
C -2.360526 1.475027 -1.212583
C 1.411795 -1.144634 -0.098224
C -3.371851 0.804310 -0.251513
C 1.943187 1.883719 1.275902
C -0.721582 2.920385 1.063841
C -3.260764 -0.733570 -0.239521
C 0.912645 -1.457666 1.190345
C 2.009285 -2.163813 -0.880214
C 1.507074 2.932873 2.128311
C 0.189182 3.436918 2.020741
C 2.293895 1.677713 -2.425334
C 1.021704 -2.772057 1.697023
C 2.124520 -3.474280 -0.367574
C 1.630567 -3.784661 0.921068
C -4.128092 -2.776375 0.872928
H -2.478899 1.066938 -2.233148
H -2.534835 2.566940 -1.256628
H -4.390753 1.103388 -0.574614
H -3.240460 1.175838 0.781863
H 2.957954 1.479100 1.352282
H -1.738902 3.317397 0.992074
H -2.252386 -1.029771 0.109536
H -3.355494 -1.121753 -1.285436
H 0.448246 -0.677707 1.804035
H 2.384118 -1.913834 -1.875763
H 2.190418 3.350952 2.874702
H -0.138488 4.241255 2.688963
H 2.211447 2.589713 -1.801492
H 1.438752 1.622415 -3.127035
H 3.234685 1.704368 -2.996314
H 0.636750 -3.001971 2.696995
H 2.595630 -4.254457 -0.976109
H -5.205980 -1.036233 0.449573
H 1.718798 -4.803397 1.315524
H -4.904902 -3.129448 1.574413
H -3.142978 -3.011810 1.316891
H -4.216023 -3.366087 -0.072201


