%chk=000126754.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126754

0 1
 O   -5.491100     -0.1649000      0.5652000    
 O   -7.563800       1.844300     -0.5294000    
 O   -6.080300      -2.677500     -0.5095000    
 O    4.878500      -2.027600     -1.8999999E-02
 N   -3.429300       1.008400      0.5787000    
 N   -1.363500       1.581100       1.171200    
 N    3.430700     -0.1768000      5.7799999E-02
 C   -6.638200      0.9786000      -1.183100    
 C   -4.866800       1.113900      0.3571000    
 C   -5.253000       1.567400      -1.043300    
 C   -6.537100     -0.3349000     -0.4146000    
 C   -6.160900      -1.509500      -1.307200    
 C   -2.643100     -7.8699999E-02  0.3080000    
 C   -2.614000       1.979400       1.095600    
 C   -1.374700      0.2992000      0.6813000    
 C  -0.2119000     -0.5265000      0.5765000    
 C    1.044600      4.9899999E-02  0.3679000    
 C  -0.3244000      -1.916000      0.6819000    
 C    2.178500     -0.7562000      0.2658000    
 C   0.8094000      -2.721900      0.5797000    
 C    2.060800      -2.142100      0.3719000    
 C    4.668600     -0.8205000     -6.8800002E-02
 C    5.837700      7.8199998E-02 -0.2570000    
 C    6.943300     -0.4005000     -0.9283000    
 C    5.778400       1.361000      0.2454000    
 C    8.040200      0.4428000      -1.105100    
 C    6.875400       2.204300      6.8300001E-02
 C    8.006200       1.745000     -0.6070000    
 H   -6.963500      0.8663000      -2.220700    
 H   -5.257600       1.796600       1.121500    
 H   -4.582900       1.131400      -1.793700    
 H   -5.219400       2.657100      -1.138400    
 H   -7.455700     -0.5641000      0.1375000    
 H   -5.182800      -1.358100      -1.775100    
 H   -6.913900      -1.666600      -2.085500    
 H   -3.045600     -0.9860000     -0.1223000    
 H   -7.377800       1.843300      0.4243000    
 H   -2.985800       2.949700       1.395200    
 H   -5.840000      -3.411900      -1.099800    
 H    1.145300       1.130300      0.2804000    
 H   -1.282000      -2.400700      0.8560000    
 H   0.7171000      -3.800900      0.6651000    
 H    2.889300      -2.832900      0.3047000    
 H    3.400800      0.8330000     -4.9800001E-02
 H    6.983800      -1.409400      -1.327800    
 H    4.937600       1.746500      0.8122000    
 H    8.920500      8.5800000E-02  -1.631800    
 H    6.853500       3.215400      0.4643000    
 H    8.861100       2.400900     -0.7430000    


%chk=000126754-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126754

0 1
O -5.662514 0.005347 0.816148
O -8.109929 1.320889 -0.385001
O -4.953512 -2.368594 -0.746335
O 4.849133 -2.193799 0.061962
N -3.546518 1.095752 0.413399
N -1.355129 1.575943 0.101453
N 3.364444 -0.373244 0.021894
C -6.836262 0.949364 -1.009869
C -5.009713 1.297959 0.601838
C -5.693745 1.941156 -0.644237
C -6.318004 -0.401302 -0.465643
C -5.378212 -1.139773 -1.425299
C -2.851940 -0.107259 0.586783
C -2.599288 2.083450 0.131955
C -1.496713 0.196226 0.382370
C -0.333250 -0.705615 0.420836
C 0.959985 -0.174432 0.204965
C -0.469831 -2.099291 0.671274
C 2.106716 -1.007293 0.235972
C 0.673545 -2.922610 0.696114
C 1.967867 -2.400436 0.479029
C 4.636417 -0.943148 -0.018740
C 5.772192 0.037747 -0.188892
C 6.990920 -0.467161 -0.710733
C 5.692862 1.407538 0.179393
C 8.100604 0.384001 -0.888363
C 6.806516 2.258629 0.005646
C 8.010555 1.751603 -0.535253
H -7.058153 0.934186 -2.088178
H -5.160078 1.876920 1.529663
H -4.971815 2.034452 -1.473097
H -6.116906 2.935287 -0.430672
H -7.140064 -1.072346 -0.168379
H -4.505078 -0.510993 -1.696746
H -5.951357 -1.373527 -2.349129
H -3.384488 -1.027125 0.811334
H -8.020765 1.211339 0.597814
H -2.858756 3.126828 -0.031727
H -4.335085 -2.872529 -1.332828
H 1.044453 0.903199 0.016466
H -1.459900 -2.532716 0.851308
H 0.562668 -3.995737 0.888873
H 2.853155 -3.037526 0.491130
H 3.311485 0.631994 -0.156164
H 7.041889 -1.532038 -0.959863
H 4.787185 1.815967 0.645321
H 9.034533 -0.015874 -1.298155
H 6.738713 3.310797 0.303080
H 8.873365 2.413396 -0.669418


