%chk=000125806.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125806

0 1
 O   5.2000000E-03   2.514300      0.6828000    
 O   -2.767300     -0.5587000       1.928200    
 O    2.765800     -0.5832000       1.928400    
 O   -3.255100      0.6482000      4.7800001E-02
 O    3.253800      0.6362000      5.6200001E-02
 N  -4.4000000E-03  -2.368800     -0.8650000    
 C   3.9999999E-04  0.1183000      0.5024000    
 C   -1.280600     -0.6691000      0.1759000    
 C    1.275000     -0.6753000      0.1785000    
 C   -1.232500      -1.840900     -0.4978000    
 C    1.223600      -1.841300     -0.5032000    
 C   4.1999999E-03   1.459800     -0.1563000    
 C   -2.424800      -2.662000     -0.9084000    
 C    2.414800      -2.661300     -0.9194000    
 C   6.6000000E-03   1.838900      -1.460700    
 C   -2.543700     -0.1056000      0.6794000    
 C    2.541200     -0.1197000      0.6837000    
 C   9.3000000E-03   3.254100      -1.439600    
 C   8.3999997E-03   3.616200     -0.1127000    
 H  -5.0000002E-04  0.2628000       1.593600    
 H  -5.7999999E-03  -3.245800      -1.374100    
 H   -2.379400      -3.652700     -0.4434000    
 H   -2.438100      -2.791500      -1.996100    
 H   -3.376300      -2.205700     -0.6214000    
 H    2.369900      -3.653800     -0.4585000    
 H    3.367400      -2.206900     -0.6330000    
 H    2.425400      -2.786400      -2.007600    
 H   6.3999998E-03   1.195300      -2.328600    
 H   1.1600000E-02   3.926100      -2.285700    
 H   9.6000005E-03   4.565100      0.4034000    
 H   -3.602200     -0.2073000       2.304500    
 H    3.602700     -0.2376000       2.305700    


%chk=000125806-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125806

0 1
O 0.015619 2.488824 0.691678
O -2.288822 0.516983 2.041110
O 2.291455 0.504144 2.045021
O -3.693160 -0.885006 0.853592
O 3.691431 -0.898327 0.853073
N -0.003304 -2.170368 -1.156554
C 0.000613 -0.014524 0.680144
C -1.272802 -0.815843 0.354042
C 1.271168 -0.820825 0.354231
C -1.244648 -1.802402 -0.616163
C 1.239459 -1.806871 -0.616349
C 0.002545 1.303140 -0.073659
C -2.410901 -2.587726 -1.171659
C 2.402725 -2.596503 -1.171997
C -0.006059 1.637232 -1.422494
C -2.520416 -0.450971 1.043294
C 2.519865 -0.462025 1.044850
C 0.001965 3.081811 -1.513868
C 0.015037 3.561989 -0.214927
H 0.001202 0.243689 1.750275
H -0.004616 -2.894358 -1.877456
H -2.306379 -3.664082 -0.933887
H -2.448842 -2.487747 -2.274317
H -3.356601 -2.226784 -0.747053
H 2.293236 -3.672793 -0.936144
H 3.349610 -2.240222 -0.746092
H 2.442135 -2.494785 -2.274438
H -0.017120 0.933274 -2.252681
H -0.001633 3.681354 -2.422175
H 0.024391 4.553613 0.228419
H -3.160515 0.731904 2.468678
H 3.163961 0.715906 2.472504


