%chk=000113810.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113810

0 1
 O   1.8999999E-02  -2.035100       1.013800    
 O    1.592900       2.363900      0.4226000    
 O    2.540900      0.2068000      -1.470300    
 N  -0.5286000       1.389700      0.4792000    
 C   -1.096000      7.4699998E-02  0.6117000    
 C   -2.325400     -0.1105000     -0.2626000    
 C   5.2900001E-02 -0.8545000      0.2249000    
 C    1.316100     -5.0400000E-02  0.5555000    
 C   0.8592000       1.388000      0.4725000    
 C   -3.386000      0.9301000      0.1217000    
 C   -1.936400      7.3600002E-02  -1.735900    
 C   -2.891900      -1.521500     -5.4000001E-02
 C    2.416400     -0.3827000     -0.3979000    
 C    3.366900      -1.472300      1.8900000E-02
 H   -1.356600     -5.4600000E-02   1.670800    
 H   6.6100001E-02  -1.164900     -0.8209000    
 H    1.657100     -0.2270000       1.582700    
 H   -1.063900       2.251500      0.5093000    
 H   -3.082000       1.951100     -0.1312000    
 H   -4.326300      0.7424000     -0.4103000    
 H   -3.606900      0.8965000       1.194500    
 H   -1.376200     -0.7690000      -2.150900    
 H   -1.367700      0.9917000      -1.916100    
 H   -2.842600      0.1466000      -2.351400    
 H   -3.113500      -1.708800       1.002800    
 H   -3.826000      -1.651700     -0.6132000    
 H   -2.205900      -2.301700     -0.3997000    
 H   0.7705000      -2.591200      0.7498000    
 H    3.783600      -1.245500       1.003400    
 H    2.849300      -2.433100      3.8199998E-02
 H    4.190200      -1.531400     -0.6989000    


%chk=000113810-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113810

0 1
O -0.405920 -2.280019 1.422505
O 1.916860 1.855614 0.650614
O 1.978413 -1.737847 -1.412104
N -0.324851 1.133345 0.655200
C -1.159581 -0.086313 0.672879
C -2.353199 -0.032109 -0.340527
C -0.120707 -1.222367 0.441323
C 1.278826 -0.591711 0.626386
C 1.039610 0.947830 0.636744
C -3.299390 1.133075 0.066697
C -1.862485 0.195084 -1.793820
C -3.136000 -1.367516 -0.241551
C 2.317680 -1.024453 -0.428181
C 3.733894 -0.543778 -0.206668
H -1.585809 -0.240606 1.686642
H -0.184670 -1.626052 -0.586386
H 1.675962 -0.841897 1.631303
H -0.719218 2.072702 0.721190
H -2.825979 2.124297 -0.073548
H -4.210378 1.121767 -0.559144
H -3.616044 1.044193 1.123520
H -1.248544 -0.646194 -2.163909
H -1.257291 1.116501 -1.876693
H -2.729541 0.295401 -2.472320
H -3.513098 -1.536932 0.783887
H -4.000503 -1.352324 -0.930715
H -2.502971 -2.231912 -0.507648
H 0.020480 -3.120794 1.120048
H 3.720866 0.548045 -0.020680
H 4.154384 -1.012149 0.704810
H 4.368402 -0.792182 -1.070853


