%chk=000048445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048445

0 1
 O    3.073100       2.215000      0.4502000    
 O    1.594500      -1.864200      -1.241600    
 N   0.8479000       1.655100      0.3743000    
 N   6.9399998E-02 -0.4654000     -0.2883000    
 N   -1.437500       1.209100      0.3364000    
 C    2.489100     -0.1229000      0.1600000    
 C    3.798100     -0.2923000     -0.6259000    
 C    2.651500     -0.7264000       1.563400    
 C    2.197000       1.363000      0.3174000    
 C    1.357800     -0.8810000     -0.5409000    
 C    3.660000      0.2784000      -2.011700    
 C    3.028000      -2.180800       1.472800    
 C  -0.1653000      0.7449000      0.1267000    
 C   -2.644500      0.5293000      0.1610000    
 C   -3.808500       1.226000     -0.1930000    
 C   -2.710800     -0.8601000      0.3367000    
 C   -5.014500      0.5469000     -0.3682000    
 C   -3.916800      -1.539000      0.1617000    
 C   -5.068600     -0.8358000     -0.1910000    
 H    4.079000      -1.342900     -0.7509000    
 H    4.632400      0.1998000     -0.1106000    
 H    1.719600     -0.6320000       2.135500    
 H    3.416800     -0.1831000       2.132200    
 H    2.892000     -0.2177000      -2.611100    
 H    3.444700       1.350900      -2.009200    
 H    4.605700      0.1525000      -2.551800    
 H    2.305100      -2.793800      0.9299000    
 H    4.026000      -2.345200       1.058800    
 H    3.063500      -2.594100       2.488600    
 H   0.5840000       2.611400      0.5926000    
 H   -1.542200       2.201200      0.5296000    
 H   -3.782200       2.303800     -0.3354000    
 H   -1.859500      -1.447200      0.6654000    
 H   -5.911500       1.094700     -0.6420000    
 H   -3.962500      -2.613700      0.3124000    
 H   -6.008000      -1.364000     -0.3245000    


%chk=000048445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048445

0 1
O 3.022027 2.295925 0.228481
O 1.691910 -2.074556 -1.140769
N 0.807613 1.643960 0.154881
N 0.084618 -0.603900 -0.338162
N -1.470641 1.100665 0.224967
C 2.555346 -0.134532 0.092446
C 3.904382 -0.329963 -0.649280
C 2.678261 -0.566006 1.619129
C 2.189721 1.355608 0.142046
C 1.426240 -0.999186 -0.541051
C 3.901873 0.163422 -2.111755
C 3.081466 -2.037201 1.842750
C -0.185047 0.645200 0.001738
C -2.718343 0.417601 0.082673
C -3.886655 1.176825 0.364755
C -2.833069 -0.939786 -0.314929
C -5.160538 0.586473 0.250481
C -4.118248 -1.512931 -0.428362
C -5.284519 -0.765032 -0.148650
H 4.137352 -1.407981 -0.636904
H 4.687448 0.201145 -0.076592
H 1.712253 -0.371166 2.126223
H 3.429453 0.105358 2.078789
H 3.142556 -0.372038 -2.708705
H 3.711026 1.249809 -2.174302
H 4.885648 -0.026710 -2.577562
H 2.383447 -2.734825 1.348913
H 4.095197 -2.245939 1.460624
H 3.080269 -2.258371 2.925851
H 0.567317 2.638792 0.219340
H -1.559055 2.065966 0.551391
H -3.800183 2.228336 0.671196
H -1.926828 -1.510385 -0.524902
H -6.053178 1.181567 0.471344
H -4.202358 -2.560425 -0.737980
H -6.273961 -1.225317 -0.238610


