%chk=000050408.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050408

0 1
 O   -1.518500     -0.3148000     -1.0100000E-02
 O    2.012100      0.5431000     -6.9999998E-04
 O    3.400100      -1.293400      4.4000000E-03
 N    4.247900      0.8439000     -6.6999998E-03
 C   -2.729300      0.4283000      1.0600000E-02
 C   -3.901300     -0.5410000     -6.2000002E-03
 C  -0.3819000      0.5385000      4.4000000E-03
 C   0.8746000     -0.3109000      5.4000001E-03
 C   -5.234700      0.1849000     -6.0000003E-04
 C    3.231100     -7.8699999E-02 -5.0000002E-04
 H   -2.771400       1.084400     -0.8667000    
 H   -2.765900       1.046000      0.9157000    
 H   -3.832900      -1.185900     -0.8906000    
 H   -3.837800      -1.210200      0.8601000    
 H  -0.3898000       1.192800     -0.8757000    
 H  -0.3986000       1.178800      0.8948000    
 H   0.8865000     -0.9592000     -0.8791000    
 H   0.8896000     -0.9524000      0.8949000    
 H   -5.334500      0.8293000     -0.8798000    
 H   -6.058800     -0.5353000     -1.2500000E-02
 H   -5.339500      0.8061000      0.8946000    
 H    4.057300       1.840300     -1.0600000E-02
 H    5.221200      0.5576000     -7.4999998E-03


%chk=000050408-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050408

0 1
O -1.512026 -0.275916 -0.006562
O 2.056139 0.563010 0.001065
O 3.441266 -1.347542 -0.000946
N 4.314595 0.835261 0.000325
C -2.777565 0.469130 0.005516
C -3.922656 -0.548597 -0.005480
C -0.340287 0.600187 0.002987
C 0.873117 -0.329178 0.000918
C -5.306061 0.138928 0.004176
C 3.300665 -0.098922 -0.000105
H -2.833981 1.136316 -0.886342
H -2.830066 1.113070 0.914529
H -3.817196 -1.188139 -0.902048
H -3.815698 -1.209759 0.875113
H -0.326532 1.257446 -0.894379
H -0.333125 1.246356 0.908472
H 0.885181 -0.972607 -0.896191
H 0.887635 -0.975619 0.895772
H -5.439911 0.787262 -0.882811
H -6.117979 -0.610424 -0.002550
H -5.437001 0.767959 0.905398
H 4.101837 1.829328 0.001059
H 5.275150 0.504650 -0.000315


