%chk=000155788.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155788

0 1
 O    4.315800      0.8153000      2.0999999E-03
 O    2.701900       2.415700     -6.0000003E-04
 N    1.729700      -2.287200     -1.9999999E-04
 C   -1.652100     -0.5766000     -3.9999999E-04
 C   -2.134700      0.1504000      -1.267800    
 C   -2.134500      0.1486000       1.268100    
 C   -3.651300      0.3350000      -1.262200    
 C   -3.651200      0.3333000       1.263100    
 C   -4.127400       1.046400      8.9999998E-04
 C  -0.1471000     -0.7735000     -1.3000000E-03
 C   0.7108000      0.3158000     -7.9999998E-04
 C   0.4001000      -2.042200     -8.9999998E-04
 C    2.085100      0.1042000     -9.9999997E-05
 C    2.539600      -1.204800      1.9999999E-04
 C    3.015200       1.219500       0.000000    
 H   -2.121900      -1.571000     -1.1000000E-03
 H   -1.841800     -0.4157000      -2.160700    
 H   -1.660900       1.136400      -1.354500    
 H   -1.660700       1.134400       1.356100    
 H   -1.841500     -0.4188000       2.160100    
 H   -4.138400     -0.6451000      -1.335200    
 H   -3.955400      0.9087000      -2.145000    
 H   -3.955100      0.9058000       2.146600    
 H   -4.138200     -0.6470000       1.334700    
 H   -3.753100       2.077600      1.6000000E-03
 H   -5.221700       1.103900      1.0000000E-03
 H   0.3160000       1.328000     -6.9999998E-04
 H  -0.2215000      -2.931900     -8.9999998E-04
 H    3.594500      -1.460300      6.0000003E-04
 H    4.934400       1.576700      2.6000000E-03


%chk=000155788-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155788

0 1
O 4.410039 0.847767 0.000683
O 2.717747 2.438894 0.001100
N 1.757262 -2.342112 -0.000816
C -1.669066 -0.587378 -0.000208
C -2.159384 0.156793 -1.278093
C -2.159535 0.155288 1.278504
C -3.695209 0.338228 -1.275165
C -3.695357 0.336740 1.275630
C -4.176228 1.069183 0.000630
C -0.159791 -0.781365 -0.000218
C 0.741411 0.309556 0.000304
C 0.415134 -2.081186 -0.000757
C 2.136521 0.068251 0.000270
C 2.601855 -1.273361 -0.000312
C 3.061749 1.231784 0.000823
H -2.139979 -1.594226 -0.000833
H -1.837457 -0.399811 -2.179237
H -1.673935 1.153199 -1.327433
H -1.674084 1.151634 1.329060
H -1.837699 -0.402374 2.179026
H -4.181616 -0.657899 -1.329575
H -4.008079 0.895444 -2.179145
H -4.008309 0.892910 2.180226
H -4.181788 -0.659439 1.328837
H -3.776990 2.104781 0.001259
H -5.280156 1.151730 0.000613
H 0.391621 1.347840 0.000731
H -0.235721 -2.965202 -0.001179
H 3.674021 -1.488911 -0.000364
H 4.977621 1.664842 0.000938


