%chk=000127007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127007

0 1
 O    1.030800      -1.669100      -1.673900    
 O    3.326300       1.834100      0.3533000    
 O   -3.593100     -0.5874000      -1.030400    
 O  -0.8846000      -3.158500      0.4494000    
 N   -1.315200     -0.6014000     -0.9006000    
 N   0.9976000       1.866300      0.2958000    
 N    2.227400      2.7000001E-02 -0.6058000    
 N   -1.352900       1.850600      0.2589000    
 N   -2.516100       1.163400      5.1300000E-02
 C  -0.1442000     -0.2594000     -0.1219000    
 C  -0.2286000       1.219300      0.1157000    
 C  -0.1440000     -0.9921000       1.225700    
 C    1.068400     -0.7020000     -0.9121000    
 C    2.262900       1.281400      5.2600000E-02
 C   -2.555400     -4.9400002E-02 -0.6385000    
 C  -4.9500000E-02  -2.491200       1.057900    
 C   0.9674000       3.251900      0.7630000    
 C    3.505900     -0.5565000     -0.9988000    
 C    1.152700      -3.141900       1.691300    
 C   -3.755600       1.715000      0.5671000    
 H   -1.053100     -0.7864000       1.804800    
 H   0.6935000     -0.6534000       1.848800    
 H   -1.293500      -1.452200      -1.455900    
 H    1.967100       3.674700      0.8852000    
 H   0.4408000       3.289600       1.722100    
 H   0.4122000       3.856900      3.8699999E-02
 H    4.197600     -0.5200000     -0.1512000    
 H    3.923000      4.7200002E-02  -1.810800    
 H    3.403000      -1.592500      -1.331000    
 H   -4.022200       2.587000     -3.6800001E-02
 H   -3.599300       2.024700       1.604600    
 H   -4.571300      0.9883000      0.5313000    
 H    1.133300      -2.975300       2.771200    
 H    1.131100      -4.218500       1.500500    
 H    2.067900      -2.728300       1.260900    


%chk=000127007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127007

0 1
O 1.131147 -1.819038 -1.479291
O 3.323607 1.951475 0.214749
O -3.648051 -0.622519 -1.062728
O -1.196886 -3.161456 1.050519
N -1.321548 -0.713490 -0.801023
N 0.992508 1.853513 0.413189
N 2.237652 0.059449 -0.624782
N -1.351661 1.822497 0.305667
N -2.532498 1.097841 0.097057
C -0.144156 -0.333326 -0.022042
C -0.216439 1.164285 0.196241
C -0.092596 -1.034283 1.415471
C 1.115186 -0.756888 -0.798733
C 2.239102 1.335721 0.033516
C -2.575104 -0.136879 -0.612799
C -0.121748 -2.568577 1.330500
C 0.935334 3.238269 0.935783
C 3.540053 -0.373540 -1.192689
C 1.173456 -3.314777 1.605904
C -3.767609 1.869905 0.297486
H -0.996753 -0.698465 1.955863
H 0.804211 -0.678079 1.953434
H -1.297278 -1.618284 -1.279814
H 1.965902 3.571612 1.120831
H 0.344947 3.255267 1.865884
H 0.445980 3.900460 0.201972
H 4.303923 -0.391585 -0.400041
H 3.865714 0.331260 -1.974445
H 3.396462 -1.373825 -1.625664
H -3.806076 2.732477 -0.391580
H -3.814473 2.233611 1.336907
H -4.616813 1.202571 0.091698
H 1.545737 -3.078847 2.621331
H 1.012171 -4.399650 1.515276
H 1.956895 -3.004806 0.888752


