%chk=000148258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148258

0 1
 O   -2.578100       3.468700      0.3167000    
 O   -2.135600      -3.717400      2.5699999E-02
 N   -1.558100     -8.3600000E-02  0.3800000    
 N  -0.3459000      3.6800001E-02 -0.3370000    
 N    1.018300      0.2792000      -2.074900    
 C   -2.449000       1.081700      0.2362000    
 C   -2.290300      -1.331600      9.9500000E-02
 C   0.9213000      1.7800000E-02  0.1869000    
 C    1.754600      0.1706000     -0.9176000    
 C  -0.2356000      0.1950000      -1.690400    
 C   -1.686700       2.373900      0.4822000    
 C   -1.385700      -2.538800      0.2892000    
 C    1.395400     -0.1160000       1.492400    
 C    3.146700      0.1937000     -0.7272000    
 C    2.783500     -9.0899996E-02   1.663400    
 C    3.645300      6.1099999E-02  0.5748000    
 H   -3.275100       1.012900      0.9553000    
 H   -2.911200       1.111500     -0.7595000    
 H   -2.702100      -1.337300     -0.9184000    
 H   -3.147900      -1.423500      0.7780000    
 H   -1.093300      0.2406000      -2.348300    
 H  -0.8577000       2.538700     -0.2112000    
 H   -1.293300       2.411700       1.503400    
 H   -1.010100      -2.593000       1.316600    
 H  -0.5375000      -2.543100     -0.4012000    
 H   0.7273000     -0.2341000       2.338000    
 H    3.824600      0.3114000      -1.566500    
 H    3.198500     -0.1917000       2.663300    
 H    4.719700      7.6899998E-02  0.7394000    
 H   -2.896200       3.452700     -0.6022000    
 H   -1.539400      -4.472800      0.1657000    


%chk=000148258-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148258

0 1
O -2.635963 3.501152 0.687959
O -2.273510 -3.778920 0.171734
N -1.567775 -0.114820 0.233880
N -0.352599 -0.005773 -0.508331
N 1.108945 0.142042 -2.266746
C -2.415001 1.105133 0.104955
C -2.271980 -1.404052 -0.024141
C 0.929864 0.036293 0.068649
C 1.830780 0.130573 -1.043395
C -0.179040 0.059779 -1.906262
C -1.755483 2.327174 0.774764
C -1.433601 -2.601249 0.438924
C 1.367293 0.001196 1.407753
C 3.225087 0.193351 -0.814817
C 2.761700 0.064997 1.613572
C 3.675853 0.159214 0.520642
H -3.368666 0.897397 0.620238
H -2.654618 1.341841 -0.959591
H -2.542952 -1.544558 -1.094154
H -3.207799 -1.384004 0.560720
H -1.017311 0.037535 -2.600418
H -0.761251 2.534439 0.330364
H -1.627156 2.142082 1.852572
H -1.203466 -2.500384 1.519292
H -0.481385 -2.652739 -0.127313
H 0.658327 -0.067723 2.238117
H 3.920327 0.265456 -1.656867
H 3.154257 0.042652 2.636303
H 4.750274 0.206489 0.728799
H -2.656709 3.827932 -0.246678
H -1.770041 -4.601404 0.391776


