%chk=000093178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093178

0 1
 O    3.661800      0.1760000      0.1659000    
 O   0.2559000      -2.183100     -0.1516000    
 N  -0.9048000     -0.1889000     -0.3814000    
 C   -2.222200     -0.7736000     -0.4975000    
 C   -2.859200     -0.9741000      0.8817000    
 C   -3.121400      7.0299998E-02  -1.407200    
 C   -3.279000      0.3453000       1.529500    
 C   -3.540700       1.388100     -0.7557000    
 C   -4.181900       1.162000      0.6100000    
 C   0.2374000     -0.9568000     -0.2160000    
 C    1.511500     -0.2038000     -8.6099997E-02
 C    2.710700     -0.7908000      8.1799999E-02
 C    1.665700       1.170500     -0.1140000    
 C    3.017700       1.366500      4.5699999E-02
 C    3.190000      -2.177600      0.1882000    
 C    3.858700       2.570000      0.1066000    
 H   -2.100800      -1.760200     -0.9620000    
 H   -2.170900      -1.503500       1.551200    
 H   -3.747000      -1.610300      0.7739000    
 H   -4.023800     -0.5054000      -1.649800    
 H   -2.613400      0.2798000      -2.356300    
 H   -2.388200      0.9325000       1.783800    
 H   -3.802400      0.1411000       2.470500    
 H   -4.250300       1.907500      -1.410000    
 H   -2.672800       2.049300     -0.6490000    
 H   -5.137900      0.6396000      0.4813000    
 H   -4.407000       2.127700       1.076400    
 H  -0.8413000      0.8227000     -0.3693000    
 H   0.9316000       1.954300     -0.2316000    
 H    4.276900      -2.216100      0.3152000    
 H    2.736500      -2.678400       1.049200    
 H    2.940400      -2.743500     -0.7146000    
 H    4.388100       2.621200       1.063000    
 H    4.600600       2.561700     -0.6979000    
 H    3.257000       3.478400      3.3000000E-03


%chk=000093178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093178

0 1
O 3.730507 0.188139 0.162401
O 0.164291 -2.223017 -0.059474
N -0.920698 -0.194294 -0.403675
C -2.261104 -0.810444 -0.521646
C -2.916291 -1.021036 0.873218
C -3.167482 0.059847 -1.426435
C -3.300033 0.318430 1.543576
C -3.568320 1.399942 -0.757395
C -4.218412 1.164911 0.628304
C 0.218176 -0.950246 -0.170132
C 1.493666 -0.197207 -0.065635
C 2.735475 -0.809729 0.094341
C 1.730647 1.242230 -0.095874
C 3.088884 1.448673 0.044669
C 3.195660 -2.225305 0.200871
C 3.969736 2.653495 0.098222
H -2.100926 -1.802052 -0.983614
H -2.223075 -1.600799 1.508980
H -3.826567 -1.640129 0.735128
H -4.088834 -0.517964 -1.637385
H -2.668165 0.238541 -2.398221
H -2.376964 0.889964 1.772190
H -3.798993 0.125782 2.512526
H -4.261363 1.953036 -1.419975
H -2.677593 2.053944 -0.635293
H -5.181935 0.632226 0.488373
H -4.455179 2.133932 1.108844
H -0.842349 0.819110 -0.489805
H 0.992433 2.036561 -0.200659
H 4.295030 -2.261154 0.278401
H 2.747691 -2.719139 1.080911
H 2.866653 -2.810944 -0.674961
H 4.522436 2.709357 1.054339
H 4.716998 2.646151 -0.716784
H 3.361504 3.567588 -0.001130


