%chk=000113490.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113490

0 1
 O    2.632800     -0.7646000      -1.228100    
 O   -1.145600       1.364700      -1.583700    
 N    1.289000      0.1118000      0.4320000    
 N   -1.107600      0.1556000      0.3830000    
 C   5.7300001E-02  -2.023100      0.7372000    
 C   -1.144700      -2.933500      0.3970000    
 C   8.3200000E-02 -0.6259000      8.2000002E-02
 C   -2.499900      -2.288300      0.6837000    
 C   -1.074600      -3.332500      -1.081600    
 C    2.480600     -2.0000000E-02 -0.2610000    
 C   -1.631400       1.099000     -0.4852000    
 C    3.604800      0.8266000      0.2642000    
 C   -2.866500       1.791200      1.6300000E-02
 C    3.418300       1.726100       1.448200    
 C   -3.462700       1.457100       1.350200    
 C    4.785000      0.7397000     -0.3695000    
 C   -3.418000       2.716300     -0.7847000    
 H   0.9863000      -2.554800      0.4919000    
 H   7.4900001E-02  -1.888900       1.828000    
 H   -1.055800      -3.842100       1.005600    
 H   0.1110000     -0.7617000      -1.005200    
 H   -2.526200      -1.835100       1.679100    
 H   -3.275700      -3.063800      0.6728000    
 H   -2.799900      -1.561200     -7.4699998E-02
 H   -1.853000      -4.067700      -1.313600    
 H  -0.1079000      -3.789000      -1.318700    
 H   -1.221800      -2.476500      -1.747800    
 H    1.216900      0.7286000       1.233000    
 H   -1.476700      7.1400002E-02   1.323100    
 H    4.336500       2.269600       1.697500    
 H    2.644300       2.474000       1.247500    
 H    3.135000       1.147000       2.333100    
 H   -4.359100       2.052700       1.556400    
 H   -3.760100      0.4052000       1.391200    
 H   -2.749800       1.660600       2.155800    
 H    5.638500       1.323700     -3.9099999E-02
 H    4.947100      9.5799997E-02  -1.227300    
 H   -4.313500       3.251200     -0.4831000    
 H   -3.008500       2.974900      -1.755300    


%chk=000113490-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113490

0 1
O 2.538637 -1.223085 -0.829074
O -1.004445 1.593455 -1.363935
N 1.237802 0.147619 0.508270
N -1.157782 0.257056 0.529000
C -0.062463 -1.954632 0.880039
C -1.061207 -3.004283 0.312041
C -0.012252 -0.582163 0.164558
C -2.553159 -2.656140 0.541890
C -0.787416 -3.309651 -1.181924
C 2.443397 -0.192969 -0.081758
C -1.621105 1.280930 -0.298918
C 3.613455 0.719049 0.222266
C -2.884712 1.977808 0.164172
C 3.398786 1.964693 1.065286
C -3.570963 1.535158 1.445908
C 4.822904 0.377758 -0.295981
C -3.359627 2.986901 -0.613882
H 0.954800 -2.375475 0.791124
H -0.252091 -1.791714 1.963033
H -0.853951 -3.934715 0.882782
H -0.000052 -0.721068 -0.932059
H -2.759736 -2.428665 1.607020
H -3.195485 -3.509533 0.255727
H -2.864840 -1.789075 -0.069239
H -1.354379 -4.201484 -1.506991
H 0.287033 -3.493232 -1.361320
H -1.095532 -2.469217 -1.831611
H 1.136253 1.015295 1.035940
H -1.699533 -0.021704 1.347410
H 4.343238 2.520601 1.186768
H 2.668504 2.652320 0.594802
H 3.029683 1.716905 2.080381
H -4.472304 2.141692 1.633199
H -3.893474 0.475907 1.395155
H -2.910178 1.647495 2.328203
H 5.716687 0.988735 -0.128736
H 4.915760 -0.527744 -0.905322
H -4.269678 3.538141 -0.353000
H -2.828076 3.263127 -1.531024


