%chk=000110597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110597

0 1
 O  -0.6107000      -2.477300      0.2631000    
 O    3.572700       1.116200      0.3528000    
 O   -1.300400     -4.4599999E-02   2.491500    
 N    3.995100      -1.477400     -0.6530000    
 C   0.2632000     -0.3026000      0.7712000    
 C   0.4168000      -1.582200      0.2895000    
 C    2.545400      0.2207000      0.3262000    
 C    1.293600      0.6099000      0.8025000    
 C    2.733100      -1.070000     -0.1686000    
 C    1.668800      -1.971500     -0.1869000    
 C   -1.069500      0.1350000       1.286400    
 C   -2.072400      0.7493000      0.4313000    
 C  -0.9887000      -2.991800      -1.012000    
 C    3.398900       2.322800     -0.3869000    
 C   -1.806700      0.9481000     -0.9236000    
 C   -3.300500       1.139400      0.9656000    
 C   -2.768700       1.537100      -1.744000    
 C   -4.262600       1.728300      0.1451000    
 C   -2.463500      -3.332100     -0.9888000    
 C    4.752700       2.815400     -0.8519000    
 C   -3.996600       1.927200      -1.209700    
 H    1.139300       1.609900       1.198000    
 H    1.819700      -2.980000     -0.5648000    
 H  -0.8006000      -2.257100      -1.804800    
 H  -0.4028000      -3.893700      -1.219900    
 H    2.755200       2.159700      -1.260300    
 H    2.932600       3.073400      0.2605000    
 H  -0.8653000      0.6591000      -1.380900    
 H   -3.532800      0.9955000       2.017500    
 H    4.123100      -2.413600      -1.013200    
 H    4.769200     -0.8264000     -0.6476000    
 H   -2.562300       1.691700      -2.799100    
 H   -5.218900       2.032000      0.5607000    
 H   -2.785500      -3.742200      -1.950100    
 H   -2.678700      -4.063200     -0.2026000    
 H   -3.060800      -2.441500     -0.7670000    
 H    4.657500       3.748200      -1.414600    
 H    5.237200       2.066800      -1.487500    
 H    5.416200       2.984400      2.7000001E-03
 H   -4.745800       2.385600      -1.848600    


%chk=000110597-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110597

0 1
O -0.983897 -1.633675 -0.321626
O 4.027084 0.950456 -0.240475
O -0.689517 1.984332 1.589953
N 3.858820 -1.512784 -1.234893
C 0.291160 0.365445 0.121083
C 0.252180 -0.974293 -0.376375
C 2.730116 0.389484 -0.249512
C 1.563352 1.007180 0.201455
C 2.679851 -0.938395 -0.788978
C 1.432714 -1.610355 -0.830842
C -0.872605 1.132754 0.653837
C -2.247408 1.003436 0.055909
C -1.074266 -3.018956 -0.817215
C 4.168814 2.305878 0.323221
C -2.445343 0.715862 -1.319251
C -3.372243 1.287196 0.873044
C -3.746309 0.704564 -1.865440
C -4.674957 1.253445 0.333740
C -2.530512 -3.445761 -0.647450
C 5.645307 2.680693 0.231043
C -4.865785 0.963384 -1.038782
H 1.572916 2.010015 0.638106
H 1.405502 -2.638481 -1.203785
H -0.765625 -3.054313 -1.883070
H -0.392101 -3.667533 -0.228893
H 3.535859 3.008576 -0.256318
H 3.816049 2.301312 1.374539
H -1.578472 0.517184 -1.958399
H -3.200651 1.539112 1.924856
H 3.879886 -2.449954 -1.623977
H 4.718935 -0.975220 -1.154962
H -3.889725 0.499572 -2.932616
H -5.538879 1.460082 0.975480
H -2.669418 -4.479641 -1.013208
H -2.824871 -3.405232 0.414850
H -3.198031 -2.774884 -1.214339
H 5.803031 3.694125 0.642367
H 5.986500 2.674383 -0.818580
H 6.265916 1.971783 0.805816
H -5.876877 0.947723 -1.462112


