%chk=000040171.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040171

0 1
 O    4.332600      -1.490900      -1.484800    
 O    1.850900      0.3595000       2.341100    
 O   -1.829900       2.586300     -0.3231000    
 O   0.4979000      -1.762200      0.9715000    
 N    2.669800      5.7799999E-02  0.1880000    
 N  -0.5533000      0.2187000      0.3508000    
 C    2.568600      0.1593000      -1.274000    
 C    3.980100     -0.4023000      0.6519000    
 C    3.014700      -1.146000      -1.920600    
 C    4.373100      -1.685000     -6.8400003E-02
 C    1.721100      0.4654000       1.120100    
 C   0.4716000       1.069700      0.6178000    
 C   0.4619000       2.396500      0.4531000    
 C  -0.6795000       3.186200     -3.1399999E-02
 C  -0.4821000      -1.157200      0.5437000    
 C   -1.713300      -1.922400      0.2166000    
 C  -0.6818000       4.515500     -0.2172000    
 C   -1.594700      -3.242700     -0.1641000    
 C   -2.934600      -1.287700      0.3047000    
 C   -1.987700       4.799400     -0.6829000    
 C   -2.647000       3.593100     -0.7299000    
 C   -2.750300      -3.961200     -0.4709000    
 C   -4.090200      -2.006400     -2.0000001E-03
 C   -3.997900      -3.343100     -0.3899000    
 H    3.230200      0.9797000      -1.575600    
 H    1.553600      0.4073000      -1.591600    
 H    3.986900     -0.5563000       1.735000    
 H    4.692600      0.3978000      0.4185000    
 H    2.328300      -1.966400      -1.679000    
 H    3.038300      -1.037500      -3.009300    
 H    5.393900      -1.971300      0.2027000    
 H    3.708200      -2.514300      0.2010000    
 H    1.357500       2.967000      0.6947000    
 H   -1.392300      0.6324000     -4.2300001E-02
 H   0.1223000       5.218700     -5.2499998E-02
 H  -0.6303000      -3.736500     -0.2374000    
 H   -3.054400     -0.2622000      0.6376000    
 H   -2.397500       5.762500     -0.9507000    
 H   -3.646300       3.297500      -1.014600    
 H   -2.678500      -5.001800     -0.7738000    
 H   -5.062700      -1.528100      6.9100000E-02
 H   -4.897900      -3.903000     -0.6271000    


%chk=000040171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040171

0 1
O 4.679062 -1.461787 -1.243217
O 1.674311 -0.126374 2.179394
O -1.889547 2.529872 -0.364161
O 0.513706 -1.866291 -0.249754
N 2.932226 0.271685 0.248391
N -0.611575 0.131460 0.181166
C 3.011215 0.382587 -1.225893
C 4.158479 -0.276474 0.874677
C 3.413092 -0.983397 -1.828672
C 4.525539 -1.621794 0.215971
C 1.753995 0.275002 0.975223
C 0.533699 0.930891 0.342450
C 0.513939 2.300474 0.176684
C -0.605119 3.131695 -0.190623
C -0.577259 -1.253339 -0.027520
C -1.906016 -1.949673 -0.008492
C -0.731760 4.503090 -0.420777
C -1.989560 -3.222216 -0.631160
C -3.056981 -1.406296 0.622678
C -2.111745 4.771425 -0.747136
C -2.787664 3.564787 -0.705017
C -3.207626 -3.930672 -0.645022
C -4.275342 -2.119330 0.610686
C -4.356001 -3.378670 -0.028091
H 3.773207 1.142920 -1.487855
H 2.036694 0.703962 -1.627307
H 3.962760 -0.406324 1.952129
H 4.983344 0.447316 0.728983
H 2.604377 -1.717815 -1.642811
H 3.605976 -0.891296 -2.910367
H 5.501463 -1.986144 0.576438
H 3.738509 -2.372983 0.433021
H 1.444803 2.840812 0.373752
H -1.505350 0.628043 0.098120
H 0.075446 5.230412 -0.358844
H -1.084346 -3.634485 -1.088727
H -3.001047 -0.453425 1.162012
H -2.548016 5.739786 -0.983930
H -3.816088 3.259618 -0.874957
H -3.264133 -4.910421 -1.131440
H -5.156040 -1.700731 1.109750
H -5.302726 -3.930102 -0.034952


