%chk=000125671.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125671

0 1
 O   0.5370000       2.936900     -0.4003000    
 O    2.801200      -2.034800      0.3360000    
 N   -3.454000     -0.3112000      0.1175000    
 C   -2.053300     -0.5229000     -0.1544000    
 C   -1.482800      -1.611300      0.7529000    
 C   -1.263000      0.7782000      1.9300001E-02
 C  -3.6699999E-02  -1.921900      0.3712000    
 C   0.2318000      0.5773000     -2.2600001E-02
 C   0.8103000     -0.6882000      0.1843000    
 C    1.063000       1.691400     -0.2151000    
 C    2.207000     -0.8192000      0.1588000    
 C   -4.197600      -1.557600     -5.0999999E-02
 C   -3.989100      0.7293000     -0.7577000    
 C    2.450100       1.549400     -0.2284000    
 C    3.021800      0.2942000     -4.3699998E-02
 C   0.3141000       3.723700      0.7668000    
 C    3.040300      -2.813200     -0.8336000    
 H   -1.921000     -0.8580000      -1.195400    
 H   -2.019500      -2.562400      0.6868000    
 H   -1.526900      -1.288400       1.802000    
 H   -1.514000       1.242700      0.9816000    
 H   -1.522700       1.479100     -0.7826000    
 H  -3.3500001E-02  -2.487000     -0.5689000    
 H   0.3927000      -2.563400       1.149900    
 H   -3.976300      -2.060600     -0.9996000    
 H   -5.277700      -1.364800     -2.9500000E-02
 H   -4.033300      -2.250800      0.7796000    
 H   -3.616400       1.723600     -0.4919000    
 H   -5.077500      0.8041000     -0.6416000    
 H   -3.784000      0.5364000      -1.817300    
 H    3.090600       2.413400     -0.3836000    
 H    4.103300      0.1896000     -5.7500001E-02
 H    1.270400       4.010900       1.215300    
 H  -0.2939000       3.187600       1.501400    
 H  -0.2180000       4.631900      0.4706000    
 H    2.125000      -2.951000      -1.416700    
 H    3.406000      -3.795500     -0.5218000    
 H    3.806700      -2.336700      -1.452900    


%chk=000125671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125671

0 1
O 0.189864 2.803118 0.216685
O 2.500210 -2.307166 -0.252307
N -3.747385 -0.452485 0.217339
C -2.315933 -0.635228 -0.178605
C -1.681242 -1.865015 0.510801
C -1.486431 0.616798 0.192496
C -0.254740 -2.118290 -0.018350
C 0.018681 0.416016 0.086988
C 0.603398 -0.864895 -0.020589
C 0.865147 1.566690 0.094596
C 2.020692 -0.982025 -0.136780
C -4.602143 -1.596358 -0.175666
C -4.337987 0.810419 -0.285788
C 2.263475 1.442745 -0.014342
C 2.846687 0.158024 -0.131852
C 1.006615 4.014631 0.210549
C 3.947358 -2.488801 -0.338244
H -2.242670 -0.789618 -1.291545
H -2.281550 -2.776029 0.341967
H -1.663865 -1.677413 1.602131
H -1.750122 0.910042 1.229713
H -1.756680 1.478417 -0.442354
H -0.302490 -2.526066 -1.049680
H 0.245467 -2.900774 0.580685
H -4.595726 -1.791639 -1.279538
H -5.643903 -1.388307 0.126628
H -4.288627 -2.519359 0.337691
H -3.828309 1.683371 0.151493
H -5.398140 0.856528 0.021258
H -4.298189 0.904371 -1.401895
H 2.912664 2.322862 -0.009821
H 3.933779 0.072725 -0.216809
H 1.573215 4.117175 -0.736380
H 1.712774 4.030967 1.064419
H 0.292542 4.846332 0.306358
H 4.364530 -1.999318 -1.240781
H 4.099880 -3.576517 -0.405001
H 4.459255 -2.095127 0.562431


