%chk=000036386.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036386

0 1
 O  -0.8680000       1.273900     -0.1003000    
 N   -1.207600      -1.997100     -0.9691000    
 N  -0.6272000      -1.365500       1.138800    
 C  -0.1108000      0.2151000     -0.6636000    
 C  -0.6631000      -1.068100     -0.1354000    
 C   -1.622800      -3.145100     -0.2212000    
 C    1.348300      0.3717000     -0.3193000    
 C   -1.272500      -2.712800       1.210600    
 C   -2.250900       1.152100     -0.4094000    
 C   -3.000400       2.314800      0.2229000    
 C    1.705500      0.9962000      0.8666000    
 C    2.310800     -0.1116000      -1.193400    
 C    3.055700       1.140900       1.185500    
 C    3.661000      3.3100002E-02 -0.8744000    
 C   -4.491400       2.242900     -5.3399999E-02
 C    4.033300      0.6594000      0.3152000    
 H  -0.2267000      0.2549000      -1.754600    
 H   -1.062600      -4.036600     -0.5178000    
 H   -2.694000      -3.334900     -0.3339000    
 H   -2.172700      -2.649400       1.831400    
 H  -0.5835000      -3.424500       1.677400    
 H   -1.291500      -1.921800      -1.975400    
 H   -2.677100      0.2269000     -8.8000000E-03
 H   -2.388200       1.165500      -1.497200    
 H   -2.822800       2.322300       1.305200    
 H   -2.596500       3.261600     -0.1553000    
 H   0.9636000       1.370000       1.566200    
 H    2.031000     -0.6028000      -2.121000    
 H    3.345900       1.626100       2.112900    
 H    4.422400     -0.3425000      -1.551600    
 H   -4.922700       1.323000      0.3542000    
 H   -5.004200       3.091900      0.4093000    
 H   -4.692800       2.269900      -1.129100    
 H    5.084500      0.7712000      0.5639000    


%chk=000036386-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036386

0 1
O -0.923447 1.141612 0.204126
N -0.955355 -1.647959 0.845731
N -1.058348 -2.113536 -1.407287
C -0.326209 0.195918 -0.749285
C -0.807655 -1.221239 -0.468138
C -1.373890 -3.065734 0.869469
C 1.200359 0.303306 -0.651118
C -1.414417 -3.387788 -0.678443
C -2.361408 1.366981 -0.036035
C -2.849044 2.390239 0.993868
C 1.815955 1.287593 0.157051
C 2.005466 -0.583621 -1.409627
C 3.226554 1.380563 0.209079
C 3.412800 -0.485459 -1.358251
C -4.350665 2.708354 0.820748
C 4.029404 0.497162 -0.547601
H -0.646364 0.440412 -1.784548
H -2.362778 -3.192132 1.351030
H -0.641736 -3.696506 1.408147
H -0.688436 -4.175115 -0.950620
H -2.413664 -3.727135 -1.005024
H -0.813785 -1.048573 1.655652
H -2.916951 0.409259 0.062691
H -2.508189 1.746125 -1.071211
H -2.656975 1.994755 2.009509
H -2.247706 3.312956 0.890075
H 1.184710 1.970169 0.732190
H 1.522955 -1.349837 -2.028357
H 3.696785 2.144952 0.838577
H 4.027620 -1.173690 -1.949517
H -4.971436 1.800757 0.942094
H -4.685052 3.447393 1.570289
H -4.559197 3.127732 -0.181383
H 5.122098 0.572786 -0.507980


