%chk=000100796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100796

0 1
 O    2.321500     -5.2700002E-02   1.125600    
 O    3.561800       2.315900      0.1288000    
 O    3.730500      -2.289500      5.0200000E-02
 O   0.9072000     -3.0000000E-03 -0.6969000    
 O   -5.797400       1.152200     -0.8647000    
 O   -5.803700      -1.039100     -0.9962000    
 N    3.363700      6.0000003E-04  0.2203000    
 N   -5.241800      4.0600002E-02 -0.6905000    
 C    4.960600      0.8490000      -1.194100    
 C    5.016600     -0.6800000      -1.220200    
 C    3.882300       1.184100     -0.1995000    
 C    3.967000      -1.126800     -0.2388000    
 C  -4.4000000E-03 -0.1072000       1.556000    
 C   -1.388900     -6.8700001E-02  0.9625000    
 C    1.086500     -4.7499999E-02  0.5130000    
 C   -2.012100       1.154900      0.7657000    
 C   -2.018600      -1.256800      0.6218000    
 C   -3.937500      3.4000000E-03 -0.1310000    
 C   -3.293500       1.191000      0.2159000    
 C   -3.300000      -1.220500      7.1999997E-02
 H    4.698000       1.253900      -2.175900    
 H    5.913100       1.275500     -0.8662000    
 H    5.998200      -1.046500     -0.9059000    
 H    4.783000      -1.069300      -2.215400    
 H   0.1225000      -1.027500       2.138800    
 H   0.1247000      0.7375000       2.243400    
 H   -1.517800       2.085300       1.030600    
 H   -1.529300      -2.214700      0.7741000    
 H   -3.759100       2.162700      7.1599998E-02
 H   -3.770800      -2.165600     -0.1867000    


%chk=000100796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100796

0 1
O 2.343226 -0.025066 1.122488
O 3.592435 2.377175 0.092047
O 3.615364 -2.332229 -0.077041
O 0.944710 0.020139 -0.788235
O -5.970436 1.157167 -0.803139
O -5.954475 -1.119555 -0.936019
N 3.437763 0.013970 0.215706
N -5.401705 0.009512 -0.643165
C 5.148892 0.849572 -1.159824
C 5.158096 -0.703873 -1.213919
C 3.995427 1.244056 -0.231819
C 4.007815 -1.174967 -0.318408
C -0.011475 -0.079173 1.527408
C -1.424131 -0.056307 0.972491
C 1.049995 -0.021678 0.437232
C -2.095892 1.176156 0.771496
C -2.078341 -1.266528 0.629066
C -4.024470 -0.013196 -0.086998
C -3.399847 1.209112 0.241197
C -3.381988 -1.256283 0.097272
H 4.976965 1.311544 -2.146520
H 6.086558 1.272028 -0.760308
H 6.099885 -1.141813 -0.841585
H 4.994065 -1.098440 -2.230716
H 0.178836 -0.994380 2.118166
H 0.173215 0.770433 2.210259
H -1.595473 2.116304 1.028988
H -1.564108 -2.222944 0.775414
H -3.935050 2.148374 0.080081
H -3.903554 -2.177909 -0.173316


