%chk=000161464.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161464

0 1
 O   0.4720000      0.9968000     -0.3000000    
 O   -2.768100      -2.600500      -1.151500    
 O   -5.192200      0.7248000       1.299200    
 O   -5.063500      -1.805300      0.1799000    
 O  -0.8159000       2.904800     -0.2834000    
 N    5.466700     -0.1303000      0.5501000    
 N    7.452700      -1.166200     -0.3175000    
 N    6.604600      -1.786700       1.705100    
 C    2.856900      0.8438000     -0.4563000    
 C    4.169100       1.621900     -0.5581000    
 C    1.654800       1.776800     -0.4092000    
 C    5.384600      0.7064000     -0.6479000    
 C   -1.854500      0.7639000     -0.1320000    
 C  -0.6993000       1.689700     -0.2462000    
 C   -2.985200       1.187100      0.5360000    
 C   -1.761900     -0.4905000     -0.6995000    
 C   -2.847700      -1.359800     -0.5943000    
 C   -4.070900      0.3176000      0.6414000    
 C   -4.002100     -0.9558000      7.6300003E-02
 C    6.457000     -0.9652000      0.6125000    
 C   -2.259300      -3.648800     -0.3293000    
 C   -6.197600       1.375700      0.5247000    
 H    2.848500      0.2088000      0.4380000    
 H    2.753300      0.1617000      -1.309500    
 H    4.145800       2.268400      -1.443500    
 H    4.270100       2.276400      0.3167000    
 H    1.611500       2.379500      -1.324000    
 H    1.731900       2.444500      0.4570000    
 H    6.282500       1.329500     -0.7390000    
 H    5.299600      8.4100001E-02  -1.547200    
 H   -3.042200       2.176700      0.9811000    
 H  -0.8766000     -0.8172000      -1.237800    
 H   -4.856000      -2.622100     -0.3056000    
 H   -2.295500      -4.580400     -0.9005000    
 H   -2.868700      -3.767200      0.5722000    
 H   -1.219100      -3.447000     -5.4600000E-02
 H   -6.568000      0.7119000     -0.2629000    
 H   -5.805200       2.298200      8.5199997E-02
 H   -7.029400       1.630200       1.187400    
 H    7.497100     -0.6427000      -1.184500    
 H    8.183000      -1.852500     -0.1608000    
 H    7.372200      -2.445900       1.773300    
 H    5.947100      -1.755100       2.476600    


%chk=000161464-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161464

0 1
O 0.545574 1.087802 0.012079
O -2.905693 -2.708305 -0.180546
O -5.494546 1.321795 0.567112
O -5.255766 -1.593906 0.179444
O -0.687551 3.031554 0.393057
N 5.592998 -0.195676 0.485941
N 7.249920 -1.496983 -0.729154
N 6.355678 -2.264444 1.302604
C 2.951158 0.983143 -0.327107
C 4.299449 1.736211 -0.339431
C 1.791042 1.910333 0.028559
C 5.488729 0.789709 -0.609274
C -1.834514 0.884954 0.183993
C -0.651759 1.787269 0.213759
C -3.115135 1.459882 0.345195
C -1.692432 -0.516863 -0.009154
C -2.850276 -1.304565 -0.022248
C -4.281821 0.662489 0.327503
C -4.147945 -0.740102 0.153752
C 6.370450 -1.242568 0.337508
C -1.634583 -3.423399 -0.311445
C -6.680680 0.925745 -0.221585
H 3.018560 0.160260 0.407133
H 2.764137 0.528885 -1.320530
H 4.286336 2.535200 -1.109186
H 4.463976 2.222312 0.641985
H 1.671712 2.739118 -0.694454
H 1.904361 2.350232 1.037256
H 6.414781 1.406326 -0.681415
H 5.343615 0.304048 -1.606920
H -3.212600 2.539526 0.488426
H -0.693733 -0.938507 -0.137251
H -4.917330 -2.523585 0.059514
H -1.902634 -4.486092 -0.402514
H -1.002655 -3.267378 0.583024
H -1.089682 -3.093129 -1.215749
H -6.975539 -0.113372 -0.006841
H -6.479634 1.042612 -1.303924
H -7.467403 1.628997 0.090640
H 7.395219 -0.780319 -1.434137
H 7.529861 -2.449981 -0.950233
H 7.226311 -2.743657 1.530388
H 5.692143 -2.115570 2.061829


