%chk=000127187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127187

0 1
 O    2.520000     -0.4711000     -0.9859000    
 O    2.924300       2.438200      0.3048000    
 O    4.440300      0.7362000       1.800600    
 O    4.643300      -2.288500      -1.391900    
 O   -6.342000      -1.622200      0.7355000    
 N   0.3215000     -2.4000001E-03 -0.2235000    
 N   -1.212800      -1.491000      0.4155000    
 N   -1.127100       1.852000     -0.8280000    
 N   -3.477500       1.291200     -0.4853000    
 N   -4.181800     -0.8392000      0.3468000    
 C    2.302900       1.218000      0.7051000    
 C    1.638500      0.5686000     -0.5101000    
 C    3.335200      0.1852000       1.116800    
 C    3.733000     -0.4228000     -0.2170000    
 C    4.320300      -1.817500     -9.5200002E-02
 C  -0.8908000      0.6095000     -0.3809000    
 C   7.4299999E-02  -1.262500      0.2566000    
 C   -1.827600     -0.3294000      2.0900000E-02
 C   -3.164800      4.9400002E-02 -4.2599998E-02
 C   -2.454300       2.103200     -0.8452000    
 C   -5.574800     -0.5050000      0.3032000    
 H    1.613500       1.460300       1.520300    
 H    1.501600       1.275700      -1.336400    
 H    2.856500     -0.5664000       1.756600    
 H    4.438100      0.2223000     -0.7571000    
 H    3.604400      -2.519100      0.3453000    
 H    5.232200      -1.817400      0.5085000    
 H    2.218600       3.041800      1.5699999E-02
 H    5.063900      1.4000000E-02   1.985800    
 H   0.8633000      -1.968600      0.4769000    
 H    3.825800      -2.282000      -1.918700    
 H   -2.741100       3.089400      -1.194400    
 H   -3.907600      -1.758300      0.6739000    
 H   -5.884100     -0.2545000     -0.7168000    
 H   -5.794000      0.3375000      0.9669000    
 H   -7.277200      -1.359200      0.6931000    


%chk=000127187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127187

0 1
O 2.507884 -0.897760 -0.751268
O 3.409066 2.109495 -1.364313
O 3.973292 1.767453 1.201452
O 3.429967 -2.812014 1.174109
O -5.107356 -1.553109 1.511013
N 0.400188 0.039916 -1.448209
N -1.627117 -0.566089 -2.351913
N -0.322000 0.410242 0.916813
N -2.723050 -0.013350 1.219021
N -4.155918 -0.654683 -0.547780
C 2.300587 1.518425 -0.625304
C 1.854247 0.252236 -1.396021
C 2.809000 0.983626 0.752186
C 3.278968 -0.453174 0.451475
C 2.998890 -1.468741 1.561418
C -0.525622 0.080266 -0.395948
C -0.320739 -0.365437 -2.588117
C -1.766919 -0.290604 -0.979231
C -2.901386 -0.323178 -0.117035
C -1.472100 0.337559 1.647574
C -5.295741 -0.654455 0.392277
H 1.477508 2.248944 -0.517932
H 2.208109 0.324269 -2.439237
H 1.983147 0.997619 1.484101
H 4.353699 -0.453338 0.187975
H 1.917207 -1.446762 1.812328
H 3.590055 -1.215575 2.458185
H 4.110499 2.329636 -0.686089
H 3.688923 2.451189 1.857247
H 0.166218 -0.492043 -3.553085
H 2.981890 -3.032514 0.317024
H -1.387226 0.580242 2.710918
H -4.251402 -1.022399 -1.496219
H -6.185999 -1.004669 -0.150562
H -5.446606 0.384851 0.747170
H -4.336162 -1.180672 2.025778


