%chk=000101564.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101564

1 1
 O    4.098600       2.314200     -0.9006000    
 O    4.173900       1.760100       1.303100    
 N    4.604300     -0.9249000     -8.2500003E-02
 C    3.540600      8.5600004E-02 -0.3483000    
 C    2.221400     -0.3849000      0.2762000    
 C   0.9600000      0.1696000     -0.3994000    
 C  -0.3412000     -0.3516000      0.2223000    
 C    5.990300     -0.3335000     -0.3618000    
 C    4.414900      -2.154200     -0.9777000    
 C    4.559900      -1.381000       1.379800    
 C   -1.637000      9.4899997E-02 -0.4639000    
 C    3.975400       1.448500      0.1376000    
 C   -2.900500     -0.4145000      0.2338000    
 C   -4.194200      9.8499998E-02 -0.4084000    
 C   -5.454700     -0.3514000      0.3352000    
 C   -6.746700      0.2085000     -0.2684000    
 C   -8.008400     -0.2610000      0.4567000    
 C   -9.256700      0.3770000     -0.1336000    
 H    3.427900      0.1335000      -1.439900    
 H    2.107600      -1.471800      0.2390000    
 H    2.180200     -9.9799998E-02   1.335800    
 H   0.9695000       1.265000     -0.3480000    
 H   0.9764000     -9.8999999E-02  -1.462800    
 H  -0.3725000     -3.9000001E-02   1.273900    
 H  -0.3153000      -1.448700      0.2275000    
 H    6.723200      -1.145500     -0.3120000    
 H    6.238800      0.4110000      0.3992000    
 H    5.987100      9.9900000E-02  -1.366600    
 H    5.229100      -2.855900     -0.7702000    
 H    4.458700      -1.829300      -2.021600    
 H    3.458800      -2.634900     -0.7640000    
 H    4.582200     -0.5148000       2.043200    
 H    5.451300      -1.991900       1.560600    
 H    3.680900      -2.003900       1.561700    
 H   -1.659700       1.191200     -0.4950000    
 H   -1.631900     -0.2513000      -1.504500    
 H   -2.877300     -0.1043000       1.285800    
 H   -2.902300      -1.511300      0.2267000    
 H   -4.169100       1.194800     -0.4374000    
 H   -4.243200     -0.2456000      -1.448700    
 H   -5.500300      -1.447400      0.3338000    
 H   -5.386300     -3.8500000E-02   1.384400    
 H   -6.807100     -8.4299996E-02  -1.324000    
 H   -6.702400       1.304600     -0.2465000    
 H   -8.090300      -1.352000      0.3900000    
 H   -7.942500     -4.3000001E-03   1.520200    
 H    4.371100       3.207600     -0.6010000    
 H   -9.366700      0.1178000      -1.191400    
 H   -9.217900       1.467700     -4.8799999E-02
 H   -10.14770      2.6799999E-02  0.3966000    


%chk=000101564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101564

1 1
O 3.469954 2.186386 -1.060830
O 4.045986 1.736470 1.151277
N 4.784433 -0.960166 -0.050023
C 3.504299 -0.116140 -0.405368
C 2.202673 -0.649697 0.239392
C 0.946370 0.067226 -0.324921
C -0.357695 -0.528390 0.253902
C 6.034971 -0.223603 -0.545213
C 4.706838 -2.301318 -0.782216
C 4.914878 -1.212298 1.456561
C -1.624612 0.167944 -0.292828
C 3.720926 1.349221 0.008697
C -2.932318 -0.417541 0.286486
C -4.201695 0.265703 -0.270564
C -5.510376 -0.313197 0.313061
C -6.781156 0.360231 -0.252649
C -8.090143 -0.216104 0.334124
C -9.354779 0.458511 -0.239541
H 3.432452 -0.159409 -1.505968
H 2.093560 -1.731961 0.036215
H 2.236750 -0.508451 1.335181
H 0.984344 1.148229 -0.087639
H 0.930962 -0.014532 -1.430469
H -0.343979 -0.445165 1.360188
H -0.407531 -1.612091 0.018988
H 6.899202 -0.899005 -0.454934
H 6.199861 0.669628 0.073744
H 5.891410 0.061969 -1.598835
H 5.593061 -2.896940 -0.514507
H 4.693027 -2.121352 -1.868154
H 3.799091 -2.839760 -0.478340
H 4.853697 -0.248791 1.982510
H 5.887715 -1.694732 1.638334
H 4.104160 -1.878071 1.783654
H -1.578159 1.252751 -0.063580
H -1.644597 0.082110 -1.399130
H -2.920987 -0.321443 1.392168
H -2.977871 -1.504918 0.068051
H -4.157554 1.354364 -0.058398
H -4.218631 0.164317 -1.375867
H -5.553116 -1.403553 0.108553
H -5.500107 -0.204194 1.417781
H -6.796688 0.248325 -1.357088
H -6.741286 1.451311 -0.051530
H -8.129159 -1.306696 0.135736
H -8.076798 -0.101161 1.437255
H 3.520510 3.147619 -0.798265
H -9.410732 0.329844 -1.336946
H -9.355758 1.544680 -0.029111
H -10.275204 0.030142 0.197151


