%chk=000126915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126915

0 1
 O   -1.754600      0.3590000      -1.075500    
 O   -2.502100      -2.304500       1.213000    
 O   -4.410900     -0.9169000     -0.1581000    
 O   -1.920900       3.111600     -0.5781000    
 N   0.6523000      -2.296700     -0.5155000    
 N    1.992400      -2.254400     -0.3746000    
 N   0.9473000       1.119900      6.3699998E-02
 N    3.423600       1.031200      0.2973000    
 N    4.716800     -0.9959000      0.1004000    
 N    2.221600       3.036600      0.5006000    
 C   -2.195500     -0.9802000      0.8257000    
 C   -1.463800     -0.9340000     -0.5072000    
 C   -3.430600     -0.1476000      0.5382000    
 C   -2.888200      0.9360000     -0.3879000    
 C   3.2299999E-02  -1.092200     -0.3837000    
 C   -2.413800       2.173000      0.3617000    
 C    1.042200     -0.2119000     -0.1409000    
 C    2.268400     -0.9600000     -0.1386000    
 C    3.490900     -0.3131000      8.7700002E-02
 C    2.192600       1.640200      0.2719000    
 H   -1.608300     -0.5061000       1.621900    
 H   -1.850700      -1.693000      -1.199400    
 H   -3.908100      0.2445000       1.441100    
 H   -3.612700       1.220900      -1.159200    
 H   -3.238200       2.632400      0.9159000    
 H   -1.602200       1.936800       1.056300    
 H   -1.662100      -2.783000       1.316200    
 H   -4.645600      -1.668300      0.4128000    
 H   0.2253000      -3.195500     -0.7014000    
 H   -1.623100       3.889900     -7.7000000E-02
 H    4.745800      -1.994100     -5.7700001E-02
 H    5.569300     -0.4794000      0.2684000    
 H    3.107800       3.494600      0.6626000    
 H    1.355500       3.557500      0.4976000    


%chk=000126915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126915

0 1
O -2.083825 -0.065963 -1.370332
O -1.262521 0.303672 2.204050
O -3.768275 -0.246928 1.544404
O -4.327257 0.995464 -2.949161
N 0.716870 -0.681211 -1.804734
N 2.103351 -0.721618 -1.844780
N 1.334778 -0.200103 1.697643
N 3.786263 -0.312676 1.470259
N 4.878062 -0.644095 -0.587213
N 2.775254 0.028970 3.542096
C -1.601448 0.664508 0.845748
C -1.270966 -0.436984 -0.200595
C -3.142686 0.756873 0.687511
C -3.401946 0.395087 -0.805799
C 0.175877 -0.488492 -0.547481
C -3.917408 1.550706 -1.653133
C 1.281927 -0.402899 0.323172
C 2.433988 -0.556582 -0.514791
C 3.722289 -0.504055 0.131414
C 2.602830 -0.167196 2.190467
H -1.121528 1.614163 0.530164
H -1.615196 -1.410679 0.214479
H -3.519599 1.766461 0.947288
H -4.117439 -0.447323 -0.843251
H -4.784872 2.008518 -1.129463
H -3.118494 2.313722 -1.771570
H -0.241917 0.107664 2.233402
H -3.141959 -0.353728 2.318296
H 0.182969 -0.744345 -2.671902
H -4.600565 1.732047 -3.551250
H 4.834639 -0.789199 -1.593766
H 5.773017 -0.602617 -0.103675
H 3.720656 0.055736 3.912226
H 1.967828 0.140402 4.148477


