%chk=000026138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026138

0 1
 O   0.4730000     -0.1954000      0.6987000    
 O    2.220800      -1.205900      -1.357400    
 O  -0.6305000      -2.691000       1.297600    
 O   -5.705000       2.140200     -0.3353000    
 N   -2.866800     -0.2026000     -0.2951000    
 C   2.7300000E-02  -1.085200     -0.3341000    
 C   -1.133100      -1.896800      0.2227000    
 C   -2.277800      -1.027500      0.7510000    
 C    1.176400      -1.986200     -0.7669000    
 C    1.676800      0.3844000      0.3963000    
 C    2.518800     -9.8700002E-02 -0.6077000    
 C   -3.979300      0.5812000      0.2243000    
 C    2.053300       1.497400       1.148700    
 C    3.717400      0.5570000     -0.8899000    
 C   -4.616800       1.406700     -0.8819000    
 C    3.258700       2.144300      0.8752000    
 C    4.086800       1.678000     -0.1463000    
 H  -0.3085000     -0.4752000      -1.183500    
 H   -1.510800      -2.586900     -0.5407000    
 H   -1.923200     -0.4023000       1.580300    
 H   -3.037800      -1.691700       1.183800    
 H    1.610000      -2.547700      7.0200004E-02
 H   0.8413000      -2.706700      -1.520300    
 H   -3.189000     -0.7958000      -1.059400    
 H   -3.638900       1.254200       1.021100    
 H   -4.743300     -6.9200002E-02  0.6688000    
 H  -0.2810000      -2.087800       1.975900    
 H    1.409900       1.872100       1.940100    
 H    4.372500      0.1954000      -1.677800    
 H   -5.000900      0.7657000      -1.682500    
 H   -3.899100       2.115700      -1.308100    
 H    3.550800       3.014900       1.455300    
 H    5.022700       2.186200     -0.3599000    
 H   -6.092900       2.658100      -1.061200    


%chk=000026138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026138

0 1
O 0.547196 -0.303167 0.863402
O 1.997366 -0.912843 -1.592760
O -0.535272 -2.730522 1.490619
O -5.454814 2.310276 -0.688821
N -3.099078 -0.529052 -0.190804
C -0.091029 -1.047888 -0.263490
C -1.146354 -1.942701 0.413193
C -2.340662 -1.109449 0.938493
C 0.986899 -1.831149 -1.018777
C 1.745504 0.366790 0.516170
C 2.443517 0.073293 -0.687025
C -3.984582 0.608025 0.151970
C 2.236937 1.347548 1.400283
C 3.616724 0.786441 -1.008208
C -4.536594 1.247915 -1.126988
C 3.419789 2.049947 1.082681
C 4.103941 1.775353 -0.126850
H -0.594846 -0.321838 -0.929533
H -1.508737 -2.692498 -0.315616
H -1.950076 -0.279095 1.556313
H -2.944625 -1.766429 1.604690
H 1.481387 -2.554181 -0.342455
H 0.559267 -2.361094 -1.885106
H -3.611525 -1.257667 -0.708790
H -3.388666 1.361710 0.697804
H -4.842389 0.328470 0.807161
H -0.000842 -2.094753 2.037925
H 1.679642 1.551701 2.320222
H 4.133366 0.545041 -1.942445
H -5.075228 0.485269 -1.734165
H -3.697967 1.649454 -1.732017
H 3.799704 2.810818 1.772094
H 5.016915 2.323734 -0.380862
H -5.783070 2.811439 -1.476309


