%chk=000000636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000636

0 1
 O    2.127600      0.1011000      0.8802000    
 O    2.331500      -1.873300      -1.398800    
 O    4.703700      0.9086000       1.648900    
 N  -0.1282000     -6.3900001E-02  0.1488000    
 N   -1.580800      -1.688500      0.6363000    
 N   -1.679200       1.723100     -0.4034000    
 N   -3.996500      0.9878000     -0.1902000    
 N   -4.583200      -1.231800      0.4855000    
 C    1.157600      0.6102000     -5.0099999E-02
 C    2.846300     -0.5508000      -1.278200    
 C    1.725500      0.4493000      -1.457600    
 C    3.296700     -0.3258000      0.1566000    
 C    4.355500      0.7629000      0.2818000    
 C   -1.374800      0.4738000     -2.1000000E-02
 C  -0.3076000      -1.365700      0.5437000    
 C   -2.259100     -0.5480000      0.2862000    
 C   -3.615900     -0.2554000      0.1909000    
 C   -3.019000       1.886500     -0.4597000    
 H   0.9913000       1.667500      0.1863000    
 H    3.643600     -0.4344000      -2.018100    
 H    2.145100       1.409800      -1.780000    
 H   0.9762000      0.1413000      -2.193800    
 H    3.646700      -1.247200      0.6350000    
 H    3.981800       1.732900     -5.9999999E-02
 H    5.257400      0.5137000     -0.2857000    
 H   0.5185000      -2.031800      0.7515000    
 H    3.068200      -2.488400      -1.241900    
 H    5.073500      6.1400000E-02   1.950900    
 H   -3.359800       2.871100     -0.7617000    
 H   -4.301700      -2.159900      0.7711000    
 H   -5.562900     -0.9945000      0.4098000    


%chk=000000636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000636

0 1
O 1.989372 0.367207 0.669338
O 2.570096 -2.181796 -1.170823
O 4.363265 1.427547 1.715581
N -0.132142 -0.160671 -0.362826
N -1.671431 -1.845983 -0.103822
N -1.593355 1.796102 0.114104
N -3.905384 1.119876 0.617181
N -4.609811 -1.137005 0.636448
C 1.131206 0.556492 -0.530897
C 3.090997 -0.802909 -1.152495
C 1.991056 0.104504 -1.739086
C 3.285945 -0.257597 0.279080
C 4.376772 0.824158 0.386877
C -1.344207 0.463190 -0.024764
C -0.391286 -1.547006 -0.387898
C -2.279045 -0.593164 0.124600
C -3.611761 -0.216086 0.461917
C -2.901457 2.032467 0.437183
H 0.850765 1.622961 -0.570018
H 4.028873 -0.750057 -1.741483
H 2.449255 0.988696 -2.213161
H 1.402669 -0.431480 -2.499178
H 3.477938 -1.056381 1.019693
H 4.228119 1.594476 -0.402844
H 5.381731 0.381924 0.268050
H 0.396927 -2.258684 -0.624284
H 3.222207 -2.790982 -0.741691
H 3.416871 1.652665 1.920938
H -3.184771 3.080897 0.568940
H -4.407909 -2.128660 0.529215
H -5.543504 -0.813099 0.879423


