%chk=000026227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026227

0 1
 O  -3.3700000E-02 -1.0700000E-02  -2.385100    
 O    4.784500       1.442800      0.3406000    
 O    5.214900      -1.258100      0.8335000    
 N   -2.225700      0.5688000     -0.7168000    
 C   -3.336700      0.2055000      0.1444000    
 C   -4.687900      0.6048000     -0.4364000    
 C   -3.485700      -1.302000      0.3099000    
 C   -5.683700     -0.2377000      0.3564000    
 C   -4.908700      -1.467700      0.8369000    
 C  -0.9514000      0.1556000     -0.1141000    
 C   0.2086000      0.5099000      -1.078700    
 C  -0.8091000      0.8023000       1.278500    
 C    1.556300      3.7500001E-02 -0.5643000    
 C  -0.7369000       2.324800       1.228800    
 C    2.555200      0.9675000     -0.3483000    
 C    1.748700      -1.310000     -0.3262000    
 C    3.793900      0.5333000      0.1239000    
 C    2.987400      -1.744100      0.1459000    
 C    4.009800     -0.8225000      0.3710000    
 H   -3.297600      0.7028000       1.118500    
 H   -4.754400      0.3420000      -1.500100    
 H   -4.888500       1.677100     -0.3449000    
 H   -2.763400      -1.740000       1.005600    
 H   -3.390800      -1.821700     -0.6522000    
 H   -6.548100     -0.5141000     -0.2557000    
 H   -6.058100      0.3249000       1.219400    
 H   -4.909700      -1.501100       1.932700    
 H   -5.360100      -2.398700      0.4793000    
 H  -0.9605000     -0.9331000      7.1999999E-03
 H   -2.329300      0.1300000      -1.631200    
 H   0.2396000       1.595900      -1.222200    
 H   0.1249000      0.4475000       1.733700    
 H   -1.571000      0.4762000       1.991700    
 H  -0.6796000       2.719000       2.249400    
 H   0.1511000       2.682300      0.7020000    
 H   -1.622800       2.762800      0.7599000    
 H  -0.4018000     -0.9056000      -2.290500    
 H    2.386400       2.022900     -0.5425000    
 H   0.9687000      -2.042600     -0.5081000    
 H    3.143000      -2.803500      0.3317000    
 H    4.455100       2.330100      0.1165000    
 H    5.180400      -2.223600      0.9466000    


%chk=000026227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026227

0 1
O -0.208955 -0.087159 -2.201532
O 5.041871 1.481106 -0.408161
O 5.581924 -1.036429 0.415239
N -2.235712 0.546546 -0.407031
C -3.487862 0.138320 0.249201
C -4.725244 0.714405 -0.494767
C -3.812632 -1.389162 0.333804
C -5.930345 -0.200146 -0.106610
C -5.319357 -1.404645 0.687141
C -0.958368 0.069583 0.164090
C 0.150935 0.457189 -0.852078
C -0.700420 0.660875 1.578381
C 1.560010 0.040378 -0.465793
C -0.664867 2.203784 1.630730
C 2.628808 0.961818 -0.594674
C 1.854953 -1.276163 -0.030877
C 3.959185 0.599258 -0.297501
C 3.184536 -1.650981 0.263503
C 4.244311 -0.726273 0.136573
H -3.484151 0.537190 1.284696
H -4.538048 0.667199 -1.586204
H -4.889088 1.776085 -0.243175
H -3.192810 -1.929281 1.073104
H -3.638035 -1.851084 -0.660026
H -6.456827 -0.555270 -1.011081
H -6.675150 0.340916 0.504208
H -5.445870 -1.245471 1.775369
H -5.808212 -2.364182 0.440712
H -0.944275 -1.047851 0.270309
H -2.251320 0.360223 -1.421160
H 0.098961 1.547176 -1.013444
H 0.247793 0.241907 1.966278
H -1.498045 0.293071 2.253637
H -0.663420 2.560889 2.676780
H 0.240612 2.608881 1.141963
H -1.546532 2.621155 1.113656
H 0.126810 -1.019097 -2.253921
H 2.415739 1.981948 -0.943038
H 1.053752 -2.012683 0.093909
H 3.403110 -2.672946 0.600720
H 4.733051 2.367498 -0.722580
H 5.662485 -1.979079 0.706350


