%chk=000082353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082353

0 1
 O    2.542000      -1.561500      0.7100000    
 O   -1.614100      -3.687200     -3.2299999E-02
 O  -0.8177000       2.265900      0.3625000    
 O   -3.701000      -2.184800     -0.2912000    
 O    4.602500     -0.2164000     -0.6269000    
 N    1.401000      0.9455000      0.6452000    
 N    4.281500       3.102400      0.8701000    
 C  -0.8005000     -0.1029000      0.2561000    
 C   -1.557400      -1.263900      8.5400000E-02
 C   -2.904000       1.307200     -7.1000000E-03
 C   -3.661000      0.1461000     -0.1779000    
 C   0.5806000     -0.1944000      0.4667000    
 C   -1.446100       1.225100      0.2159000    
 C   -3.015200      -1.181800     -0.1377000    
 C    1.198500      -1.444800      0.5061000    
 C  -0.9333000      -2.516600      0.1257000    
 C   0.4432000      -2.603400      0.3360000    
 C   -3.528100       2.559900     -4.7400001E-02
 C   -5.042000      0.2376000     -0.3889000    
 C    3.298500      -2.199900     -0.3157000    
 C   -4.904500       2.646600     -0.2582000    
 C   -5.659900       1.487800     -0.4285000    
 C    4.694300      -1.607200     -0.3427000    
 C    5.883700      0.3973000     -0.6429000    
 C    5.735900       1.880900     -0.9501000    
 C    4.923000       2.562700      6.7900002E-02
 H   0.9274000      -3.576100      0.3772000    
 H   -2.963800       3.479500      8.2199998E-02
 H   -5.654500     -0.6497000     -0.5246000    
 H    3.350500      -3.273900     -0.1078000    
 H    2.822800      -2.044100      -1.292600    
 H   -5.388100       3.618600     -0.2895000    
 H   -6.731300       1.558200     -0.5924000    
 H    2.395000      0.8250000      0.7911000    
 H    1.011700       1.876900      0.6250000    
 H    5.297600      -2.105500      -1.109400    
 H    5.169500      -1.739000      0.6363000    
 H  -0.9963000      -4.435700      2.8600000E-02
 H    6.368700      0.2593000      0.3314000    
 H    6.505500     -7.2999999E-02  -1.413600    
 H    5.251400       2.005200      -1.925500    
 H    6.725900       2.345500      -1.009200    


%chk=000082353-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082353

0 1
O 2.607751 -0.782714 0.144338
O -1.408716 -3.449977 -0.741840
O -1.207778 2.551074 0.582173
O -3.741340 -2.225249 -0.612745
O 5.464166 -1.040337 -0.911105
N 1.123584 1.427079 0.491547
N 4.104852 2.143451 0.224492
C -0.972458 0.186978 0.087696
C -1.630951 -1.070531 -0.228338
C -3.238675 1.340660 0.189716
C -3.887840 0.114883 -0.116212
C 0.463235 0.267498 0.197549
C -1.758527 1.411925 0.300793
C -3.112984 -1.149027 -0.340207
C 1.227549 -0.944775 -0.004019
C -0.823594 -2.218923 -0.427652
C 0.596106 -2.148515 -0.310656
C -4.008236 2.515527 0.395086
C -5.301926 0.076417 -0.213846
C 3.451924 -1.985263 0.062824
C -5.410969 2.469187 0.296593
C -6.060865 1.243956 -0.009169
C 4.889534 -1.570891 0.336420
C 6.593440 -0.124326 -0.743141
C 6.182393 1.300751 -1.203682
C 5.055176 1.814597 -0.412441
H 1.184235 -3.060095 -0.468244
H -3.476609 3.442785 0.629129
H -5.770998 -0.883677 -0.450787
H 3.115472 -2.718502 0.824537
H 3.378033 -2.439621 -0.945027
H -6.002411 3.377574 0.455738
H -7.153259 1.208570 -0.085459
H 2.147099 1.477655 0.518768
H 0.520539 2.257262 0.624553
H 5.471072 -2.458976 0.662467
H 4.905803 -0.810618 1.142316
H -0.704825 -4.140531 -0.854784
H 6.949692 -0.101713 0.305509
H 7.415492 -0.479525 -1.390644
H 5.871994 1.257698 -2.263708
H 7.045719 1.989658 -1.131240


