%chk=000028108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028108

0 1
 O    1.028800      -1.400900      -2.109900    
 O   -1.870100       1.839200     -0.9164000    
 O   -1.381000      -1.851100       1.847300    
 N  -0.1869000      -1.683000     -0.1430000    
 N   -1.575300      9.8600000E-02  0.6004000    
 C   0.2095000      0.5917000      -1.007500    
 C   0.3756000       1.246600      -2.398600    
 C   0.3811000     -0.9207000      -1.177600    
 C   -1.188400      0.9166000     -0.4687000    
 C    1.284500       1.198000     -7.8000002E-02
 C   -1.059600      -1.191000      0.8540000    
 C  -0.6643000      0.7318000      -3.369600    
 C   0.1642000      -3.098600     -9.2699997E-02
 C   -2.684000      0.5433000       1.436700    
 C    2.541900      0.6127000     -1.2600000E-02
 C   0.9800000       2.321000      0.6799000    
 C    3.512600       1.160200      0.8263000    
 C    1.950800       2.868500       1.518700    
 C    3.217100       2.287900       1.591800    
 C    1.384100      -3.269000      0.7501000    
 C   -3.962100      1.9500000E-02  0.8712000    
 C    2.522600      -3.817600      0.3116000    
 C   -4.981000      0.7963000      0.4866000    
 H    1.375300       1.051800      -2.809100    
 H   0.2845000       2.338900      -2.329900    
 H  -0.6129000     -0.3462000      -3.539600    
 H   -1.692000      0.9755000      -3.092400    
 H  -0.4959000       1.201900      -4.346100    
 H  -0.6605000      -3.668700      0.3496000    
 H   0.3177000      -3.483200      -1.107200    
 H   -2.558000      0.1695000       2.458600    
 H   -2.683800       1.638600       1.483600    
 H    2.812100     -0.2546000     -0.6054000    
 H   1.5600000E-02   2.815700      0.6373000    
 H    4.499800      0.7107000      0.8807000    
 H    1.722900       3.749700       2.111300    
 H    3.973600       2.715300       2.243400    
 H    1.335500      -2.942700       1.786100    
 H   -4.077100      -1.058500      0.7878000    
 H    3.373700      -3.921300      0.9758000    
 H    2.627300      -4.168300     -0.7092000    
 H   -5.889700      0.3549000      9.2200004E-02
 H   -4.928200       1.877200      0.5555000    


%chk=000028108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028108

0 1
O 1.201726 -1.344786 -2.028799
O -1.720958 2.070909 -0.458669
O -1.617788 -2.104779 1.597824
N -0.171101 -1.719088 -0.195328
N -1.630245 0.015738 0.619388
C 0.206198 0.640289 -0.985647
C 0.271419 1.331178 -2.385732
C 0.441565 -0.870164 -1.144454
C -1.134305 0.968120 -0.296755
C 1.333899 1.228269 -0.068924
C -1.150882 -1.308653 0.738934
C -0.812899 0.862945 -3.377962
C 0.231002 -3.162930 -0.168850
C -2.805483 0.386974 1.473962
C 2.495806 0.486449 0.262074
C 1.218730 2.566725 0.390800
C 3.516931 1.071560 1.045108
C 2.241812 3.146766 1.170236
C 3.396080 2.401417 1.503603
C 1.385761 -3.405683 0.784206
C -4.117824 -0.103136 0.891172
C 2.592832 -3.885682 0.397233
C -5.086695 0.721762 0.425335
H 1.275600 1.130106 -2.798052
H 0.182578 2.418827 -2.220505
H -0.723569 -0.216130 -3.595453
H -1.827937 1.071536 -2.995416
H -0.701821 1.402770 -4.335371
H -0.656311 -3.735319 0.149811
H 0.507079 -3.435746 -1.199223
H -2.630341 -0.066846 2.464314
H -2.798621 1.484710 1.554603
H 2.626376 -0.540268 -0.094118
H 0.327557 3.153390 0.142162
H 4.408649 0.484221 1.290869
H 2.136322 4.181072 1.515998
H 4.189808 2.851896 2.109641
H 1.183935 -3.190253 1.842646
H -4.260718 -1.192470 0.883198
H 3.391906 -4.075223 1.122816
H 2.813939 -4.104563 -0.654560
H -6.031032 0.329356 0.031279
H -4.958978 1.810934 0.419607


