%chk=000115380.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115380

0 1
 O    3.085300     -0.3485000      -1.754500    
 O   0.2568000       1.760200       1.086200    
 O    3.044500       1.822200      0.2519000    
 N   -1.793900     -0.2750000      0.4492000    
 N  -0.6668000      -1.067200      0.6328000    
 C    2.856100     -0.5249000     -0.3668000    
 C   -1.825600      0.1553000     -0.9531000    
 C   -2.979200      -1.068400      0.7941000    
 C   -3.062300       1.013900      -1.226500    
 C   -4.255100     -0.2508000      0.5828000    
 C   -4.343600      0.2788000     -0.8452000    
 C    1.646500      -1.445500     -0.1489000    
 C   0.5650000     -0.5452000      0.3951000    
 C    2.380700      0.7992000      0.1831000    
 C   0.9736000      0.7137000      0.5981000    
 C    4.118000      -1.017700      0.3217000    
 H   -1.832700     -0.7109000      -1.630300    
 H  -0.9612000      0.7674000      -1.231600    
 H   -2.931500      -1.369500       1.848100    
 H   -3.034400      -1.987800      0.1949000    
 H   -3.097000       1.287300      -2.287300    
 H   -2.993700       1.949300     -0.6566000    
 H   -4.272900      0.5913000       1.286400    
 H   -5.132400     -0.8696000      0.8026000    
 H    1.862200      -2.231800      0.5844000    
 H    1.320700      -1.922800      -1.080200    
 H   -5.205200      0.9479000     -0.9457000    
 H   -4.503200     -0.5585000      -1.535700    
 H  -0.7626000      -2.063800      0.4573000    
 H    4.419200      -1.994000     -7.3299997E-02
 H    4.953300     -0.3322000      0.1385000    
 H    3.982800      -1.102200       1.405000    
 H    2.240800     -0.1249000      -2.182100    
 H  -0.6337000       1.434400       1.302700    


%chk=000115380-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115380

0 1
O 3.789777 -0.413020 -1.477198
O -0.002577 1.554518 0.606447
O 3.022957 1.876245 0.201878
N -1.782179 -0.397746 -0.042958
N -0.650070 -1.291175 -0.124086
C 3.023688 -0.564987 -0.222648
C -2.315153 -0.066463 -1.408833
C -2.832293 -0.957362 0.862935
C -3.458989 0.960278 -1.295500
C -3.989423 0.050761 1.015151
C -4.576146 0.441458 -0.361424
C 1.849829 -1.543887 -0.484848
C 0.624402 -0.734493 -0.115420
C 2.351165 0.803660 0.109484
C 0.918752 0.579356 0.234692
C 3.962917 -1.000565 0.917281
H -2.684041 -0.995048 -1.907047
H -1.476988 0.336778 -2.002976
H -2.353357 -1.169788 1.833136
H -3.222308 -1.919459 0.450686
H -3.854870 1.167846 -2.306946
H -3.051342 1.912280 -0.903364
H -3.613376 0.954839 1.532182
H -4.767812 -0.395490 1.661813
H 1.933161 -2.469635 0.115668
H 1.858383 -1.826846 -1.554437
H -5.361185 1.209847 -0.238310
H -5.060778 -0.444371 -0.821357
H -0.803186 -2.198196 -0.587860
H 4.510893 -1.913821 0.624631
H 4.692873 -0.197527 1.125042
H 3.400618 -1.201003 1.848020
H 4.243676 0.471406 -1.419087
H -0.908515 1.091312 0.532352


