%chk=000059061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059061

0 1
 O   -5.461900      0.1846000     -0.9870000    
 O    4.278300      0.4692000      -1.792500    
 N   -3.263100       1.125500     -0.6512000    
 N    4.156500      -1.409900     -0.2801000    
 N   -4.123600      5.5300001E-02 -0.5984000    
 N    4.367600     -7.0500001E-02 -0.5043000    
 C   -2.878700       1.451100      0.7274000    
 C    2.942400      -1.535500      0.5346000    
 C   -1.780800      0.4717000       1.214700    
 C    1.843700     -0.5495000      5.8699999E-02
 C  -0.4985000      0.4490000      0.3695000    
 C   0.5321000     -0.5797000      0.8571000    
 C   -2.404700       2.910300      0.7663000    
 C   -4.117300       1.301300       1.627600    
 C    3.317700      -1.304900       2.004700    
 C    2.426100      -2.974000      0.3665000    
 C   -3.721000      -1.238500     -0.4963000    
 C    4.978600      0.7605000      0.3804000    
 C   -5.931500      -1.192900      -1.032000    
 C    4.816800       1.812300      -1.630000    
 C   -4.747500      -2.053100     -0.7268000    
 C    5.268700       1.917500     -0.2089000    
 H   -2.153600     -0.5429000       1.374300    
 H   -1.485700      0.7920000       2.225500    
 H    2.183900      0.4912000      0.1195000    
 H    1.610500     -0.7391000     -0.9983000    
 H  -3.3599999E-02   1.441400      0.3846000    
 H  -0.7396000      0.2249000     -0.6758000    
 H   0.7393000     -0.3860000       1.915600    
 H   7.7100001E-02  -1.574000      0.7946000    
 H   -1.592400       3.096200      5.5300001E-02
 H   -3.218600       3.601400      0.5159000    
 H   -2.040800       3.179100       1.764400    
 H   -4.426200      0.2655000       1.807500    
 H   -3.900600       1.714500       2.621600    
 H   -4.976900       1.865900       1.245100    
 H    3.377000     -0.2453000       2.269500    
 H    4.268100      -1.786700       2.264200    
 H    2.563000      -1.739400       2.671800    
 H    2.094000      -3.166300     -0.6605000    
 H    1.587700      -3.192600       1.036000    
 H    3.211200      -3.703700      0.6008000    
 H   -3.774700       1.909000      -1.056800    
 H    4.003400      -1.848900      -1.187800    
 H   -2.697600      -1.537100     -0.3429000    
 H    5.233700      0.4691000       1.385900    
 H   -6.324900      -1.390300      -2.033200    
 H   -6.723200      -1.316400     -0.2874000    
 H    4.027400       2.534500      -1.857400    
 H    5.650100       1.936400      -2.327500    
 H   -4.719700      -3.130500     -0.7489000    
 H    5.775400       2.757100      0.2389000    


%chk=000059061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059061

0 1
O -5.362116 -0.867279 -0.001952
O 4.099980 1.276972 -0.785423
N -3.570964 0.837709 -0.393099
N 4.015289 -1.100544 0.003267
N -3.799321 -0.510699 -0.469715
N 4.770478 0.036420 0.114463
C -3.194079 1.421614 0.937871
C 2.814904 -1.256723 0.897260
C -1.996464 0.620644 1.523250
C 1.684907 -0.275254 0.443185
C -0.694490 0.643944 0.694442
C 0.371911 -0.325694 1.256532
C -2.825176 2.897168 0.651580
C -4.390297 1.357170 1.927678
C 3.258972 -0.986788 2.351485
C 2.382443 -2.733295 0.725745
C -3.780344 -1.064461 -1.797371
C 6.084814 -0.036246 -0.466030
C -5.883775 -1.811587 -1.011169
C 5.217798 1.894036 -1.527480
C -4.865718 -1.800010 -2.136953
C 6.394181 0.954090 -1.336807
H -2.328304 -0.428777 1.642173
H -1.797567 1.013980 2.540644
H 2.098943 0.749933 0.463511
H 1.453836 -0.489405 -0.622163
H -0.269053 1.667149 0.669370
H -0.924433 0.370307 -0.354192
H 0.571134 -0.065020 2.315797
H -0.048971 -1.351530 1.256044
H -2.025489 2.974481 -0.104366
H -3.705957 3.461256 0.287494
H -2.477853 3.385273 1.579149
H -4.700646 0.311712 2.089734
H -4.108428 1.808814 2.896981
H -5.262705 1.906891 1.528254
H 3.598299 0.056061 2.466466
H 4.095715 -1.653402 2.626352
H 2.422527 -1.170479 3.047302
H 2.069363 -2.942294 -0.316144
H 1.528262 -2.965937 1.383182
H 3.214285 -3.412040 0.984802
H -4.190964 1.438290 -0.966441
H 3.881536 -1.465731 -0.957862
H -2.871757 -0.898138 -2.377956
H 6.729978 -0.836486 -0.101004
H -6.891983 -1.486750 -1.346014
H -5.970168 -2.825379 -0.561755
H 5.436813 2.898128 -1.101975
H 4.940511 2.016402 -2.596410
H -4.979048 -2.367356 -3.062322
H 7.372791 1.107661 -1.794915


