%chk=000096313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096313

0 1
 O   0.8843000      0.7194000       1.045200    
 O  -0.1296000      -2.211700     -0.7717000    
 O    2.106400      -2.060200      0.7654000    
 O    2.783100       2.615700      0.2320000    
 O    1.303800      -2.659600      -2.527400    
 O    4.335300      -1.492100      0.9803000    
 O   -5.642800       1.861900     -0.2877000    
 O    3.414900       3.705600      -1.704600    
 N   -1.360600      0.5181000      0.3034000    
 N   -2.710300       2.183000     -0.3688000    
 N   -3.099000      -1.078100      0.9011000    
 N   -5.344900     -0.2794000      0.5544000    
 C   0.4643000     -0.9427000     -0.5888000    
 C    1.927000      -1.022400     -0.1983000    
 C  -0.1274000     -0.2060000      0.6032000    
 C    2.156100      0.3243000      0.4807000    
 C    2.608700       1.407900     -0.4879000    
 C   -2.636800      9.2000000E-02  0.4502000    
 C   -1.456600       1.797400     -0.1987000    
 C   -3.451300       1.109900      3.9400000E-02
 C   0.3865000      -2.980100      -1.783700    
 C    3.367500      -2.181100       1.273400    
 C   -4.896900      0.9610000      7.5900003E-02
 C   -4.476400      -1.183600      0.9214000    
 C  -0.3362000      -4.290800      -1.859300    
 C    3.192100       3.697700     -0.5015000    
 C    3.405900      -3.303000       2.266300    
 C    3.332900       4.897100      0.3859000    
 H   0.3413000     -0.3439000      -1.501500    
 H    2.600400      -1.203200      -1.042000    
 H  -0.3491000     -0.8820000       1.438000    
 H    2.840800      0.3043000       1.332200    
 H    1.853800       1.570600      -1.265800    
 H    3.557300       1.119800     -0.9553000    
 H  -0.5855000       2.397200     -0.4254000    
 H   -2.507000      -1.844000       1.205400    
 H   -4.819800      -2.160200       1.297600    
 H   7.9099998E-02  -4.888100      -2.676000    
 H  -0.2045000      -4.839400     -0.9233000    
 H   -1.396700      -4.117400      -2.058400    
 H    3.136700      -4.241600       1.775300    
 H    2.722300      -3.090000       3.092000    
 H    4.418900      -3.397700       2.667800    
 H    3.659300       5.753800     -0.2106000    
 H    2.368300       5.136200      0.8405000    
 H    4.083800       4.701900       1.155500    


%chk=000096313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096313

0 1
O 0.815609 0.975958 1.006352
O -0.262135 -2.191530 -0.445130
O 2.138815 -1.948718 0.896417
O 2.968547 2.765167 0.220260
O 1.019538 -2.765577 -2.303469
O 4.426851 -1.666528 0.557463
O -6.005671 1.563770 -0.197700
O 3.683968 3.713628 -1.782447
N -1.447029 0.638023 0.413443
N -2.984004 2.312400 0.136523
N -3.028583 -1.306045 0.325653
N -5.351907 -0.694446 0.040579
C 0.407808 -0.878586 -0.434495
C 1.918723 -0.888103 -0.116256
C -0.186476 -0.045747 0.725938
C 2.151559 0.519068 0.493069
C 2.694819 1.515940 -0.526250
C -2.694753 0.036844 0.292871
C -1.687596 2.036671 0.314162
C -3.642280 1.064917 0.120689
C 0.135922 -3.077734 -1.484673
C 3.497661 -2.267091 1.135208
C -5.071444 0.742268 -0.027844
C -4.400947 -1.586247 0.192301
C -0.663958 -4.354455 -1.429876
C 3.476041 3.826866 -0.555885
C 3.608846 -3.380720 2.145603
C 3.701922 5.046289 0.305282
H 0.246857 -0.377113 -1.406312
H 2.548873 -1.090600 -0.995247
H -0.338528 -0.703985 1.607696
H 2.830973 0.472596 1.359978
H 1.978568 1.723391 -1.342359
H 3.637856 1.139911 -0.965117
H -0.876440 2.751450 0.405528
H -2.312722 -2.040044 0.328810
H -4.654621 -2.653686 0.226155
H -0.180225 -5.118604 -2.054955
H -0.758509 -4.716806 -0.393165
H -1.681701 -4.175736 -1.823687
H 3.086718 -4.281616 1.779684
H 3.127363 -3.085039 3.093881
H 4.667924 -3.613674 2.323989
H 4.142710 5.850156 -0.300845
H 2.744452 5.388304 0.735394
H 4.370011 4.801315 1.148584


