%chk=000073416.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073416

0 1
 O    2.176700     -0.6303000      0.2223000    
 O    5.725500       1.185100      -1.178700    
 O    4.652400      -1.439800     -0.6751000    
 O   6.1400000E-02  -2.360600      0.4839000    
 O   -4.860500      -1.741000      0.2405000    
 O   -3.293800       2.574600     -0.5068000    
 N   -2.491400      -1.485800      0.2570000    
 C    5.807200      0.5543000      0.1028000    
 C    4.578000     -0.3692000      0.2747000    
 C    3.227300      0.3228000      7.5499997E-02
 C    5.821500       1.659100       1.167500    
 C    7.121000     -0.2322000      0.1626000    
 C   0.9006000     -0.1679000      0.1047000    
 C   -1.710300      0.7820000     -0.1369000    
 C   -1.499400     -0.5934000      0.1199000    
 C  -0.1859000      -1.036700      0.2353000    
 C   -3.025600       1.256500     -0.2584000    
 C   -4.073500      0.3393000     -0.1189000    
 C   0.6848000       1.180100     -0.1472000    
 C  -0.6176000       1.654800     -0.2680000    
 C   -3.731000     -0.9832000      0.1323000    
 C   -5.489100      0.3807000     -0.1646000    
 C   -5.917200     -0.9069000      5.9599999E-02
 C   0.2097000      -3.208700     -0.6491000    
 C   -4.070900       3.266400      0.4651000    
 H    4.599600     -0.8439000       1.262800    
 H    3.190200      0.7446000     -0.9365000    
 H    3.125100       1.106500      0.8340000    
 H    5.802800       1.243100       2.179900    
 H    4.976300       2.345000       1.049500    
 H    6.720600       2.278800       1.067200    
 H    7.979500      0.4358000      2.6400000E-02
 H    7.234100     -0.7502000       1.120500    
 H    7.184500     -0.9721000     -0.6429000    
 H    5.823900      0.5001000      -1.861200    
 H    4.531700      -1.064000      -1.563400    
 H    1.469900       1.918100     -0.2650000    
 H  -0.7635000       2.714400     -0.4662000    
 H   -6.128800       1.231900     -0.3459000    
 H   -6.891500      -1.370000      0.1159000    
 H  -0.6994000      -3.207200      -1.258700    
 H   0.3879000      -4.227400     -0.2937000    
 H    1.066400      -2.897300      -1.255200    
 H   -3.716300       4.300600      0.5061000    
 H   -3.968600       2.832000       1.465700    
 H   -5.121000       3.282300      0.1624000    


%chk=000073416-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073416

0 1
O 2.370609 -0.370576 0.424815
O 5.825247 0.952998 -1.444340
O 4.542521 -1.317437 -0.692858
O 0.560488 -2.182813 0.014847
O -4.627367 -1.905503 -0.344724
O -3.249387 2.698698 0.208455
N -2.295130 -1.463903 -0.132491
C 6.025609 0.474826 -0.058336
C 4.741665 -0.302434 0.355913
C 3.490548 0.591310 0.430757
C 6.252982 1.735151 0.792056
C 7.245551 -0.471217 0.000479
C 1.058356 0.105911 0.322903
C -1.652798 0.928911 0.153546
C -1.316939 -0.486519 0.032708
C 0.066035 -0.884852 0.100620
C -3.040458 1.329491 0.087416
C -4.029915 0.340409 -0.084116
C 0.713805 1.481350 0.439075
C -0.618156 1.888268 0.350029
C -3.533381 -1.015961 -0.177808
C -5.482597 0.243384 -0.201332
C -5.783150 -1.090498 -0.351802
C -0.182614 -3.273404 -0.650076
C -4.615914 3.234151 0.172341
H 4.899129 -0.800638 1.335062
H 3.430997 1.251188 -0.456765
H 3.475740 1.190849 1.360467
H 6.312531 1.486627 1.867457
H 5.448614 2.473881 0.633955
H 7.202921 2.209444 0.491786
H 8.121501 0.037111 -0.437956
H 7.486030 -0.750854 1.043447
H 7.045063 -1.395261 -0.568184
H 5.482954 0.163420 -1.947564
H 3.599098 -1.627332 -0.612069
H 1.498435 2.226823 0.595668
H -0.885207 2.943453 0.437225
H -6.222437 1.038254 -0.180201
H -6.720793 -1.626287 -0.472298
H -1.033274 -3.604653 -0.038061
H 0.569794 -4.070741 -0.761679
H -0.557703 -2.951921 -1.637095
H -4.496161 4.320011 0.296548
H -5.221335 2.827569 1.002460
H -5.098207 3.020414 -0.798580


