%chk=000076846.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076846

0 1
 O   8.3200000E-02 -1.1000000E-03   2.011300    
 O    2.906500      1.8000000E-03 -0.9282000    
 O   -1.808400     -2.7999999E-03   3.345800    
 O    3.342900       4.707400     -0.6820000    
 O    3.349800      -4.703200     -0.6839000    
 O   -5.363600      6.9999998E-04  -2.207800    
 O   -5.887700     -2.2000000E-03 -7.5999998E-02
 N   -5.035700     -1.0000000E-03 -0.9969000    
 C   0.4077000     -1.9999999E-04  0.5849000    
 C  -0.9534000     -7.9999998E-04 -3.3000000E-02
 C    1.194500       1.259000      0.2797000    
 C    1.196200      -1.258300      0.2787000    
 C   -1.918000     -1.9000000E-03  0.9585000    
 C    2.375600       1.182000     -0.4671000    
 C    2.377300      -1.179300     -0.4676000    
 C   -1.265900     -1.8000000E-03   2.258900    
 C   -1.326200     -3.9999999E-04  -1.367800    
 C   0.7542000       2.525900      0.7020000    
 C   0.7576000      -2.525900      0.7005000    
 C   -3.273000     -2.4999999E-03  0.6836000    
 C    3.092900       2.338000     -0.7934000    
 C    3.096700      -2.334100     -0.7939000    
 C   -2.689400     -1.2000001E-03  -1.677200    
 C   -3.656300     -2.0000001E-03 -0.6578000    
 C    1.473700       3.678600      0.3825000    
 C    1.479000      -3.677500      0.3809000    
 C    2.642200       3.584600     -0.3670000    
 C    2.647800      -3.581600     -0.3678000    
 H  -0.5840000      3.9999999E-04  -2.159100    
 H  -0.1599000       2.630000       1.281100    
 H  -0.1567000      -2.631400       1.279200    
 H   -3.989100     -2.9000000E-03   1.498700    
 H    4.006500       2.257400      -1.378000    
 H    4.011000      -2.259100      -1.377900    
 H   -2.968400     -6.9999998E-04  -2.728400    
 H    1.113200       4.646900      0.7191000    
 H    1.114000      -4.643300      0.7201000    
 H    4.123900       4.455900      -1.204400    
 H    2.894600      -5.476400     -0.3083000    


%chk=000076846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076846

0 1
O 0.241356 0.018406 2.010586
O 3.307429 -0.010331 -0.291380
O -1.559301 0.024915 3.504061
O 3.388953 4.816488 -0.651063
O 3.507248 -4.758820 -0.559475
O -5.630050 -0.022278 -1.928270
O -6.009187 -0.005687 0.321462
N -5.226181 -0.011610 -0.702607
C 0.440795 0.002839 0.447666
C -1.007504 -0.000956 -0.038460
C 1.210832 1.252960 0.087942
C 1.207206 -1.258437 0.116044
C -1.900331 0.006388 1.051843
C 2.593171 1.198058 -0.211346
C 2.593031 -1.216953 -0.184582
C -1.134189 0.016205 2.335390
C -1.488573 -0.009936 -1.362031
C 0.602897 2.536974 0.122183
C 0.595308 -2.535595 0.181572
C -3.294822 0.004031 0.877333
C 3.355028 2.356952 -0.464734
C 3.350403 -2.380878 -0.408539
C -2.883714 -0.012805 -1.570756
C -3.757991 -0.006501 -0.454556
C 1.330542 3.707764 -0.126590
C 1.321743 -3.716280 -0.038640
C 2.716768 3.612604 -0.416578
C 2.710493 -3.631549 -0.330543
H -0.799103 -0.013671 -2.211482
H -0.462678 2.615391 0.362707
H -0.470488 -2.604328 0.423603
H -3.987924 0.009896 1.722892
H 4.420703 2.248864 -0.693471
H 4.415748 -2.313556 -0.638191
H -3.313344 -0.019307 -2.576009
H 0.862542 4.694611 -0.093025
H 0.823533 -4.691026 0.023869
H 4.351191 4.667397 -0.826678
H 2.983763 -5.593242 -0.468147


