%chk=000165138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165138

0 1
 O    2.402500      0.1442000      0.9963000    
 O    1.249000      -2.455000      -1.182900    
 O    4.555000       1.898200      0.5950000    
 O   -3.878300       2.102700     -0.5019000    
 N   0.2046000      0.2675000      0.1200000    
 N   -1.709300      -1.200900      0.4283000    
 N  -0.9316000       2.130100     -0.4017000    
 N   -3.835500     -0.1412000      7.7399999E-02
 N   -3.660700      -2.416100      0.6690000    
 C    1.340600     -0.6113000      0.3871000    
 C    1.927900      -1.258400     -0.8570000    
 C    3.349900      -1.519400     -0.4145000    
 C    3.659300     -0.3179000      0.4650000    
 C    4.314900      0.8233000     -0.2995000    
 C   -1.112200     -3.9099999E-02  0.1504000    
 C   0.2661000       1.599600     -0.2205000    
 C   -1.795900       1.097900     -0.1677000    
 C   -3.244300       1.093200     -0.2194000    
 C   -3.101800      -1.197600      0.3766000    
 H    1.004200      -1.357200       1.117500    
 H    1.912800     -0.5871000      -1.723700    
 H    3.392100      -2.441900      0.1788000    
 H    4.044000      -1.650600      -1.250300    
 H    4.292200     -0.6005000       1.313500    
 H    3.672800       1.197900      -1.103200    
 H    5.271800      0.5131000     -0.7295000    
 H    1.203400       2.128700     -0.3273000    
 H   0.3275000      -2.223100      -1.388400    
 H   -1.204700      -2.049700      0.6619000    
 H    3.698300       2.160600      0.9733000    
 H   -3.086800      -3.220600      0.8964000    
 H   -4.666500      -2.546500      0.6650000    


%chk=000165138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165138

0 1
O 1.473005 -1.657403 0.296452
O 3.034558 -1.789422 -2.832436
O 1.738095 0.410396 2.422340
O -3.644514 2.284543 -0.468574
N 0.237595 -0.248004 -1.195540
N -1.046696 -0.674834 0.914157
N -1.121239 1.379779 -2.073563
N -3.050024 0.674428 1.140680
N -2.491406 -0.903028 2.778100
C 1.247865 -1.332432 -1.114266
C 2.630473 -0.924195 -1.727605
C 3.633733 -1.150199 -0.570687
C 2.794158 -1.064307 0.714917
C 2.622191 0.367121 1.259561
C -0.813754 -0.049893 -0.304101
C -0.017144 0.651216 -2.269189
C -1.640712 0.952843 -0.834045
C -2.845521 1.387890 -0.092962
C -2.228631 -0.264025 1.581077
H 0.862333 -2.249917 -1.595725
H 2.605601 0.139620 -2.036414
H 4.051815 -2.163388 -0.694225
H 4.461412 -0.422322 -0.596508
H 3.146023 -1.723758 1.524439
H 2.281056 1.058122 0.459919
H 3.602504 0.719952 1.626317
H 0.626675 0.715409 -3.143240
H 2.569820 -1.527772 -3.667063
H -0.411024 -1.416294 1.229053
H 0.794144 0.391516 2.120165
H -1.911226 -1.643984 3.162226
H -3.329866 -0.604756 3.270741


