%chk=000077039.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077039

0 1
 O   -2.146000       1.727300     -0.4741000    
 O   -3.221800     -0.5547000      0.6928000    
 N    4.510400      5.9999999E-02 -0.2037000    
 C    2.192500     -0.4693000     -0.8963000    
 C   0.7614000     -0.4884000     -0.4773000    
 C    3.117000      2.1299999E-02  0.2270000    
 C  -3.7400000E-02  0.6386000     -0.6710000    
 C   0.2215000      -1.633500      0.1083000    
 C   -1.376000      0.6205000     -0.2794000    
 C   -1.916000     -0.5246000      0.3062000    
 C   -1.117200      -1.651500      0.5002000    
 C    5.367000      0.5695000      0.8575000    
 C   -2.182200       2.685600      0.5817000    
 C   -4.173200      -1.000900     -0.2716000    
 H    2.497300      -1.473800      -1.219100    
 H    2.306500      0.1700000      -1.782100    
 H    3.016400     -0.6448000       1.093400    
 H    2.796800       1.021600      0.5465000    
 H   0.3786000       1.534400      -1.125900    
 H   0.8337000      -2.517300      0.2666000    
 H   -1.530900      -2.546500      0.9569000    
 H    4.597500      0.6586000      -1.024500    
 H    5.320100     -6.8200000E-02   1.746200    
 H    5.097300       1.593400       1.136100    
 H    6.406100      0.5779000      0.5141000    
 H   -1.182200       3.091000      0.7659000    
 H   -2.580300       2.236000       1.496800    
 H   -2.841100       3.504000      0.2790000    
 H   -3.964300      -2.034100     -0.5667000    
 H   -4.164800     -0.3496000      -1.151300    
 H   -5.166700     -0.9610000      0.1833000    


%chk=000077039-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077039

0 1
O -2.138625 1.700868 -0.606432
O -3.230254 -0.628401 0.796798
N 4.633614 0.054563 -0.210492
C 2.308880 -0.519297 -0.890091
C 0.846154 -0.545561 -0.474918
C 3.219789 0.085184 0.208915
C -0.000182 0.562940 -0.724785
C 0.309733 -1.658167 0.223681
C -1.346129 0.566694 -0.302636
C -1.883662 -0.574401 0.359207
C -1.041606 -1.673546 0.631702
C 5.587908 0.547785 0.798981
C -2.660468 2.422111 0.577903
C -4.230463 -0.601393 -0.296021
H 2.675989 -1.538970 -1.108020
H 2.429653 0.075657 -1.818051
H 3.121064 -0.516306 1.134188
H 2.854843 1.114471 0.459751
H 0.373780 1.449567 -1.249640
H 0.949761 -2.523271 0.434027
H -1.471568 -2.535784 1.151892
H 4.766577 0.508712 -1.124051
H 5.563038 -0.114447 1.684565
H 5.388267 1.588889 1.155302
H 6.613329 0.515956 0.389576
H -1.822158 2.842917 1.165290
H -3.264273 1.751862 1.215858
H -3.281153 3.236935 0.174761
H -4.118640 -1.497460 -0.935759
H -4.121883 0.311283 -0.909435
H -5.211315 -0.617890 0.203435


