%chk=000028778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028778

0 1
 O   -3.032700       1.434100     -0.5844000    
 O    3.290500      0.2241000      0.8872000    
 O    3.518000     -0.8493000      -1.162600    
 N   -1.480900     -1.3900000E-02  0.3901000    
 N    5.112200      -1.116200      0.5015000    
 C   -3.865300     -0.6166000      0.4037000    
 C   -3.642600      -1.999300     -0.2625000    
 C   -3.865700     -0.7900000       1.936000    
 C   -5.241900     -4.8599999E-02  1.4000000E-03
 C   -2.755600      0.3922000      7.4000000E-03
 C   -3.590600      -1.977100      -1.786400    
 C  -0.2563000      0.6669000      0.1843000    
 C   0.9194000      9.7599998E-02  0.6433000    
 C  -0.2622000       1.887200     -0.4697000    
 C    2.125500      0.7691000      0.4423000    
 C   0.9437000       2.558500     -0.6707000    
 C    2.137600       1.999500     -0.2149000    
 C    3.946000     -0.6125000     -3.6800001E-02
 C    6.000900      -2.005900     -0.2093000    
 H   -4.443900      -2.684200      4.4300001E-02
 H   -2.709700      -2.448700      9.9200003E-02
 H   -2.961100      -1.291200       2.296300    
 H   -3.922800      0.1809000       2.441600    
 H   -4.721000      -1.391300       2.264700    
 H   -6.045900     -0.7578000      0.2278000    
 H   -5.291900      0.1867000      -1.067100    
 H   -5.456700      0.8813000      0.5414000    
 H   -3.388900      -2.984800      -2.164800    
 H   -4.540800      -1.650200      -2.217800    
 H   -2.796600      -1.320200      -2.153400    
 H   -1.391700     -0.9037000      0.8732000    
 H   0.9138000     -0.8605000       1.156500    
 H   -1.138300       2.387600     -0.8530000    
 H   0.9548000       3.516700      -1.182200    
 H    3.073500       2.528000     -0.3744000    
 H    5.359300     -0.8469000       1.448700    
 H    5.633300      -2.216300      -1.216300    
 H    6.078600      -2.935900      0.3591000    
 H    6.984300      -1.532900     -0.2644000    


%chk=000028778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028778

0 1
O -3.190967 1.592367 -0.173533
O 3.459265 0.426928 -0.079701
O 2.945201 -1.845489 0.466074
N -1.449060 0.069678 0.176806
N 5.136946 -1.044439 0.199970
C -3.782323 -0.739304 0.449981
C -3.533126 -1.963792 -0.496130
C -3.567572 -1.188005 1.927608
C -5.229234 -0.215397 0.290540
C -2.799398 0.423157 0.117367
C -3.598473 -1.654511 -2.007045
C -0.296719 0.872518 -0.058141
C 0.959333 0.214697 0.059355
C -0.363794 2.250479 -0.391576
C 2.137921 0.953464 -0.161773
C 0.841040 2.956097 -0.604302
C 2.096995 2.326727 -0.494305
C 3.767916 -0.927877 0.223261
C 5.814973 -2.313320 0.475185
H -4.290171 -2.732280 -0.240427
H -2.550547 -2.426632 -0.262595
H -2.564711 -1.623355 2.099742
H -3.692859 -0.337538 2.621602
H -4.314418 -1.959120 2.193363
H -5.945909 -1.033729 0.490100
H -5.409042 0.180935 -0.721884
H -5.425552 0.609235 0.996554
H -3.395280 -2.565688 -2.598710
H -4.594088 -1.279243 -2.301510
H -2.851917 -0.892062 -2.295712
H -1.251337 -0.905370 0.413353
H 1.022327 -0.845784 0.315430
H -1.335780 2.736794 -0.478939
H 0.796342 4.019811 -0.861650
H 3.032670 2.868024 -0.658520
H 5.673890 -0.203952 -0.014693
H 5.044512 -3.078693 0.658299
H 6.458814 -2.238426 1.370968
H 6.432433 -2.630503 -0.385112


