%chk=000104683.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104683

0 1
 O   -1.283100       2.635000      0.2474000    
 O    2.903000      0.9723000      -1.334000    
 O   -5.077300      -1.843500     -0.6117000    
 O    1.493500      -3.977700       1.615900    
 O   -5.052600      5.4600000E-02  -1.714400    
 O    1.902600      -2.015700       2.511500    
 N   -4.589300     -0.7089000     -0.8331000    
 N    1.793900      -2.764100       1.510300    
 C   9.7499996E-02   2.724800      0.1863000    
 C    2.192200       1.882400     -0.6139000    
 C   0.8018000       1.790100     -0.5508000    
 C   -1.828100       1.407600      0.4681000    
 C    2.568100     -0.3640000      -1.192300    
 C   0.7361000       3.748600      0.8624000    
 C    2.854400       2.907700      6.1099999E-02
 C    2.126300       3.840900      0.7993000    
 C   -2.919000      0.9818000     -0.2897000    
 C    2.353400     -0.8743000      7.5000003E-02
 C   -3.478500     -0.2754000     -6.1799999E-02
 C    2.018200      -2.220700      0.2175000    
 C   -1.296600      0.5759000       1.453700    
 C    2.459100      -1.154200      -2.322200    
 C   -2.946800      -1.107100      0.9238000    
 C    1.903300      -3.033900     -0.9100000    
 C   -1.855900     -0.6815000       1.681700    
 C    2.123800      -2.500700      -2.179900    
 H   0.2794000       1.022100      -1.114900    
 H   0.1705000       4.475500       1.437400    
 H    3.937300       2.984400      1.6100001E-02
 H    2.642000       4.639100       1.325200    
 H   -3.311100       1.652200      -1.050900    
 H    2.470900     -0.2381000      0.9482000    
 H  -0.4614000      0.8893000       2.074500    
 H    2.630300     -0.7403000      -3.311300    
 H   -3.356800      -2.092500       1.129600    
 H    1.643600      -4.086900     -0.8374000    
 H   -1.444000      -1.327200       2.451800    
 H    2.034300      -3.133400      -3.058200    


%chk=000104683-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104683

0 1
O -1.343601 2.582629 0.330667
O 3.020657 0.958121 -1.346435
O -6.004668 -1.210380 0.052975
O 1.570014 -4.339824 1.278700
O -5.866741 0.872212 -0.865076
O 0.931265 -2.277741 2.008213
N -5.371714 -0.112952 -0.193684
N 1.536931 -3.056575 1.169106
C 0.062803 2.673869 0.180595
C 2.201179 1.881036 -0.634737
C 0.811106 1.681133 -0.490243
C -1.973200 1.335212 0.555497
C 2.871966 -0.431733 -1.180745
C 0.665653 3.859864 0.652495
C 2.836019 3.052500 -0.174481
C 2.051745 4.043091 0.458252
C -3.285364 1.216510 0.058093
C 2.266907 -1.025297 -0.053163
C -3.984920 0.022919 0.327063
C 2.218626 -2.433154 0.005855
C -1.380982 0.292752 1.310615
C 3.438317 -1.233809 -2.202080
C -3.423412 -1.044560 1.061398
C 2.771293 -3.263898 -0.991566
C -2.109101 -0.893430 1.550653
C 3.389051 -2.639561 -2.097324
H 0.321339 0.795128 -0.903311
H 0.048969 4.609825 1.154561
H 3.912855 3.172955 -0.317991
H 2.529429 4.960215 0.817088
H -3.748199 2.022684 -0.515058
H 1.847423 -0.438690 0.765795
H -0.373115 0.401943 1.720261
H 3.907292 -0.740765 -3.058361
H -4.009685 -1.949431 1.236387
H 2.706923 -4.349973 -0.895113
H -1.635956 -1.695310 2.125253
H 3.827894 -3.253312 -2.889857


