%chk=000145941.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145941

0 1
 O   -1.774300      -1.821500       1.661500    
 O   -1.835700       1.425100      -2.777200    
 O   -5.466400      -1.014200      0.9675000    
 O   -5.038200      0.4873000     -0.6932000    
 O    3.691400      -3.629900     -0.6385000    
 O    2.438700      -3.810000       1.242200    
 N   -2.377500      8.8000000E-02  0.5068000    
 N   -2.086400       1.007700     -0.5150000    
 N   0.5608000      -2.129800      0.3595000    
 C   -3.601300      0.3878000       1.249600    
 C  -0.3854000      -1.165000     -0.2017000    
 C   -3.687400       1.845800       1.705300    
 C   -1.975600       2.377800     -3.3700000E-02
 C   -3.284800       2.823200      0.6026000    
 C  -0.8623000      -1.610300      -1.590700    
 C   -1.561400      -1.012700      0.7563000    
 C   -2.082300     -0.8538000      -2.118500    
 C   -1.996100      0.6334000      -1.846700    
 C    1.706500      -2.298000     -0.5201000    
 C   -4.760200     -1.4000000E-02  0.3860000    
 C    2.408700     -0.9448000     -0.7006000    
 C    2.949000     -0.3293000      0.5998000    
 C    2.627200      -3.308900      0.1404000    
 C    3.706200      0.9625000      0.4133000    
 C    5.074800      0.9235000      0.1969000    
 C    3.020000       2.165900      0.4620000    
 C    5.774900       2.117700      2.4900001E-02
 C    3.719800       3.360200      0.2899000    
 C    5.097300       3.336000      7.1400002E-02
 H   -3.615900     -0.2401000       2.149300    
 H   7.6200001E-02 -0.1741000     -0.2386000    
 H   -4.695200       2.084500       2.064300    
 H   -3.003300       1.987100       2.552200    
 H   -1.718800       3.043300     -0.8641000    
 H   -1.152400       2.416800      0.6898000    
 H   -3.178100       3.831400       1.017700    
 H   -4.071900       2.871700     -0.1586000    
 H   -1.107500      -2.680500      -1.594900    
 H  -6.0300000E-02  -1.463800      -2.324200    
 H   -2.172400      -1.009700      -3.200100    
 H   -3.003900      -1.250800      -1.679000    
 H   9.3800001E-02  -3.029600      0.4771000    
 H    1.428000      -2.737800      -1.483800    
 H    3.273100      -1.111400      -1.360500    
 H    1.805000     -0.2186000      -1.255600    
 H    3.609100      -1.041400       1.111300    
 H    2.126200     -0.1477000       1.303000    
 H   -6.230100      -1.291000      0.4176000    
 H    5.610800     -2.0500001E-02  0.1566000    
 H    1.946800       2.194400      0.6285000    
 H    4.274300      -4.290400     -0.2072000    
 H    6.847300       2.099000     -0.1460000    
 H    3.192100       4.308800      0.3252000    
 H    5.642100       4.265900     -6.2899999E-02


%chk=000145941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145941

0 1
O -1.788517 -1.860483 1.499923
O -2.146371 1.538907 -2.881788
O -6.132485 0.039858 1.292346
O -5.084509 -0.863746 -0.569113
O 3.772813 -3.592458 -0.445945
O 2.103995 -3.980852 1.118120
N -2.549572 0.014850 0.371546
N -2.394892 0.991199 -0.644648
N 0.612145 -1.854353 0.210796
C -3.724303 0.166088 1.251071
C -0.434031 -1.043139 -0.397731
C -3.788047 1.614368 1.811654
C -2.402064 2.396154 -0.174715
C -3.663740 2.659473 0.678208
C -0.937105 -1.548434 -1.801036
C -1.615640 -1.004533 0.582538
C -2.248464 -0.860936 -2.287099
C -2.272649 0.637129 -2.003634
C 1.831887 -2.146334 -0.530030
C -5.004904 -0.271543 0.526056
C 2.771497 -0.906786 -0.676934
C 3.246260 -0.337619 0.684646
C 2.540979 -3.311398 0.157505
C 4.046073 0.943893 0.511039
C 5.448603 0.901457 0.296618
C 3.404482 2.209981 0.513095
C 6.189213 2.086700 0.088303
C 4.139547 3.398869 0.303624
C 5.536395 3.341403 0.089290
H -3.571887 -0.554815 2.078476
H -0.079633 0.000624 -0.537834
H -4.729085 1.743641 2.370281
H -2.950194 1.733271 2.524916
H -2.371541 3.023990 -1.079579
H -1.487317 2.584698 0.423091
H -3.608505 3.675975 1.108326
H -4.558262 2.626825 0.026781
H -1.101628 -2.640697 -1.740994
H -0.132579 -1.369164 -2.538732
H -2.356081 -0.979804 -3.377175
H -3.124176 -1.323661 -1.798854
H 0.288644 -2.566001 0.876498
H 1.635918 -2.511598 -1.569794
H 3.639966 -1.190079 -1.298391
H 2.220884 -0.120804 -1.230279
H 3.864299 -1.101520 1.195702
H 2.352791 -0.169077 1.314402
H -6.948409 -0.303115 0.836375
H 5.961957 -0.068581 0.297244
H 2.321815 2.262097 0.687068
H 4.183605 -4.377837 0.007052
H 7.272328 2.033354 -0.071705
H 3.626722 4.367708 0.311310
H 6.108773 4.262054 -0.070791


