%chk=000097978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097978

0 1
 O    1.543700      0.3056000     -0.1975000    
 O   0.2034000      -1.470900      0.4011000    
 O   -2.751300     -0.1744000      -1.192000    
 O   -2.333200     -0.5679000      0.9351000    
 N   -2.053200     -8.0200002E-02 -0.1709000    
 C  -0.7740000      0.6534000     -0.2836000    
 C  -0.8288000       1.810800      0.6935000    
 C   0.3453000     -0.3147000      2.5000000E-02
 C    2.706700     -0.4942000      3.9600000E-02
 C    3.941300      0.3326000     -0.2502000    
 H  -0.6840000      0.9975000      -1.319600    
 H  -0.8376000       1.472400       1.736400    
 H   5.1500000E-02   2.452900      0.5770000    
 H   -1.716500       2.432800      0.5321000    
 H    2.717600     -0.8216000       1.085200    
 H    2.686400      -1.371600     -0.6164000    
 H    4.851100     -0.2494000     -7.8599997E-02
 H    3.935800      0.6826000      -1.287700    
 H    3.966200       1.223700      0.3857000    


%chk=000097978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097978

0 1
O 1.631809 0.371678 -0.216362
O 0.545739 -0.585045 1.617757
O -1.019005 -0.972051 -1.217955
O -2.643923 0.623754 -1.157398
N -1.507159 0.142997 -0.811920
C -0.640739 1.013880 0.152808
C -1.499674 1.530690 1.311158
C 0.547011 0.163871 0.617990
C 2.850480 -0.459181 0.061723
C 3.888105 -0.085061 -0.989569
H -0.280493 1.833134 -0.493567
H -1.773578 0.704592 1.987374
H -0.922675 2.271885 1.890491
H -2.409946 2.013912 0.923013
H 3.184374 -0.241675 1.092255
H 2.550130 -1.520741 0.008233
H 4.806992 -0.677998 -0.830664
H 3.512102 -0.293901 -2.005241
H 4.150849 0.984659 -0.925926


