%chk=000127607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127607

0 1
 O    2.479000      0.7137000     -0.8178000    
 O  -0.1435000       1.195800       1.449400    
 O   0.1178000       2.825900      -1.749100    
 O    4.092700      -1.542000      -1.341300    
 O    4.685000     -0.4006000       1.794200    
 O    4.883300       1.273300      0.2597000    
 O    1.016400      -2.756000     -0.1442000    
 O    1.466400      -1.795100      -2.150600    
 N   -2.086400       1.391500      0.1038000    
 N   -4.246400       1.392700     -0.4467000    
 N   -1.822900     -0.9342000      0.7537000    
 N   -3.920300      -2.161000      0.5258000    
 N   -5.935200      -1.128100     -0.2489000    
 C    1.543400       1.616400     -0.2207000    
 C   0.1971000       1.699600     -0.8922000    
 C  -0.7306000       1.895300      0.3229000    
 C    2.944100     -0.1747000      0.2290000    
 C    1.130600      0.9481000       1.021600    
 C    1.928400     -7.3100001E-02   1.322200    
 C    3.079700      -1.574700     -0.3476000    
 C    4.264800      0.3322000      0.7343000    
 C   -2.529600      0.1163000      0.3102000    
 C   -3.153400       2.120500     -0.3499000    
 C    1.787900      -2.029000     -0.9928000    
 C   -3.870900      0.1378000     -3.7400000E-02
 C   -4.571200      -1.058200      8.3300002E-02
 C   -2.606000      -2.032300      0.8291000    
 H    2.016900       2.589800     -5.3900000E-02
 H  -4.0800001E-02  0.7988000      -1.471100    
 H  -0.8284000       2.954300      0.5975000    
 H    1.760700     -0.7976000       2.104700    
 H    3.388700      -2.307100      0.4075000    
 H   0.7977000       2.716200      -2.435600    
 H   -3.074700       3.171200     -0.5938000    
 H    4.240000      -2.455800      -1.639900    
 H    5.547800     -8.5500002E-02   2.138600    
 H   0.1839000      -3.052600     -0.5700000    
 H   -2.116200      -2.934800       1.178800    
 H   -6.423200     -0.3066000     -0.5796000    
 H   -6.422200      -2.008700     -0.1529000    


%chk=000127607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127607

0 1
O 2.723197 0.739854 -0.736944
O -0.011190 1.541252 1.453101
O -0.013177 2.415536 -2.085223
O 3.964096 -1.872035 -1.109434
O 5.031582 -0.745269 1.725425
O 5.271518 1.144324 0.387572
O 0.641229 -1.880322 0.397543
O 1.319189 -1.841978 -1.830499
N -2.031871 1.312088 0.132992
N -4.332806 1.375240 0.102587
N -1.766450 -1.202731 -0.015862
N -3.915686 -2.361260 -0.159160
N -5.969687 -1.201795 -0.112771
C 1.636838 1.618806 -0.309403
C 0.255816 1.478663 -1.006349
C -0.701645 1.894801 0.156388
C 3.116993 -0.123343 0.423830
C 1.292755 1.152367 1.081554
C 2.141824 0.214634 1.549732
C 2.996166 -1.623333 -0.064592
C 4.581121 0.192742 0.786475
C -2.459154 -0.023898 0.042359
C -3.210229 2.095675 0.173005
C 1.562501 -1.827633 -0.588486
C -3.879049 0.047342 0.019645
C -4.609527 -1.172150 -0.084367
C -2.564130 -2.316414 -0.119403
H 1.970008 2.674234 -0.373795
H 0.101672 0.428341 -1.319982
H -0.830467 2.991307 0.124985
H 2.068517 -0.377906 2.458749
H 3.221267 -2.297179 0.776065
H 0.471512 2.128178 -2.898634
H -3.161069 3.180595 0.239929
H 3.513165 -1.654519 -1.972512
H 5.977022 -0.548367 1.963496
H -0.392913 -1.570018 0.145098
H -2.035297 -3.271886 -0.174304
H -6.498409 -0.332545 -0.058180
H -6.444830 -2.099695 -0.190331


