%chk=000106477.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106477

0 1
 O   0.7501000      -1.697000      0.9602000    
 O   -6.575900     -0.2587000     -2.3300000E-02
 O    2.426400       3.642800     -0.2279000    
 O    2.995900      -2.592100     -0.8164000    
 N    2.130000     -2.0700000E-02  0.1474000    
 C   -1.669300     -0.5065000      0.2259000    
 C  -0.3341000      0.1815000     -6.8899997E-02
 C   -2.869600      0.3145000     -0.2559000    
 C   0.8847000     -0.6089000      0.3948000    
 C   -4.187000     -0.3801000      8.3800003E-02
 C    2.266100       1.266700     -0.5227000    
 C    3.386300     -0.6532000      0.5423000    
 C   -5.387700      0.4471000     -0.3531000    
 C    2.256200       2.415400      0.4692000    
 C    3.927900      -1.550900     -0.5551000    
 H   -1.685300      -1.494000     -0.2522000    
 H   -1.755000     -0.6807000       1.305900    
 H  -0.3329000       1.162100      0.4138000    
 H  -0.2658000      0.3173000      -1.153700    
 H   -2.845300       1.305700      0.2130000    
 H   -2.800100      0.4667000      -1.339700    
 H   -4.251200     -0.5676000       1.163000    
 H   -4.229900      -1.366600     -0.3947000    
 H    3.200800       1.276200      -1.097400    
 H    1.482400       1.416600      -1.269800    
 H    4.115700      0.1160000      0.8169000    
 H    3.187800      -1.259700       1.433600    
 H   -5.403100       1.414400      0.1591000    
 H   -5.372500      0.6164000      -1.434500    
 H    3.075700       2.315800       1.188700    
 H    1.320500       2.464600       1.032400    
 H    4.873700      -2.003400     -0.2417000    
 H    4.092200     -0.9935000      -1.482600    
 H   -7.323800      0.2912000     -0.3128000    
 H    2.423200       4.351800      0.4375000    
 H    3.378000      -3.147700      -1.517000    


%chk=000106477-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106477

0 1
O 0.639930 -1.708001 1.102567
O -6.731597 -0.185240 0.181727
O 2.700569 3.527889 -0.356950
O 3.361255 -2.124734 -1.455466
N 2.063937 -0.111662 0.178133
C -1.756519 -0.444393 0.357916
C -0.413754 0.124610 -0.141160
C -2.967418 0.266309 -0.285505
C 0.791419 -0.638697 0.434349
C -4.316352 -0.277352 0.237296
C 2.289252 1.169924 -0.510243
C 3.242796 -0.883589 0.622069
C -5.520275 0.408315 -0.412911
C 2.396852 2.352187 0.472215
C 4.166557 -1.335380 -0.518870
H -1.791434 -1.528325 0.145418
H -1.806232 -0.352345 1.459944
H -0.348141 1.202465 0.108660
H -0.372143 0.061554 -1.248947
H -2.907318 1.358270 -0.088211
H -2.920690 0.145237 -1.388943
H -4.380619 -0.137966 1.333879
H -4.383940 -1.366031 0.048229
H 3.226908 1.118654 -1.090849
H 1.485917 1.375580 -1.234662
H 3.847257 -0.291692 1.340894
H 2.845803 -1.768237 1.147643
H -5.483834 1.504062 -0.221162
H -5.501238 0.246903 -1.513769
H 3.204247 2.162896 1.211296
H 1.440372 2.481096 1.021694
H 4.981749 -1.940954 -0.065826
H 4.633835 -0.465904 -1.032378
H -7.534738 0.227524 -0.225042
H 2.757854 4.334328 0.213420
H 3.944837 -2.505803 -2.158357


