%chk=000161229.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161229

0 1
 O    1.740000     -0.6799000      3.4800000E-02
 O    1.079100       1.533000      0.3667000    
 O    5.643400      0.2128000      0.9477000    
 O    5.016600      -2.247600     -0.4340000    
 O    3.779700       2.349400      0.1465000    
 O   0.9156000      -3.081500     -0.9929000    
 O  -0.8495000      0.2315000      0.4666000    
 O  -0.3082000       3.693300     -0.3906000    
 O   -4.859400      -2.308000      0.5364000    
 N   -2.275500       2.505500     -0.4209000    
 C    4.516700      5.2499998E-02  8.4399998E-02
 C    4.049900      -1.400100      0.1810000    
 C    3.410100       1.018700      0.5071000    
 C    2.699600      -1.584000     -0.5156000    
 C    2.087400      0.6855000     -0.1831000    
 C    2.157400      -2.997900     -0.3320000    
 C  -0.1901000       1.277000     -0.2235000    
 C  -0.9050000       2.620700     -0.3307000    
 C   -2.192900      0.1744000      0.2167000    
 C   -2.922800       1.281400     -0.2161000    
 C   -2.844000      -1.030900      0.4795000    
 C   -4.304100       1.187500     -0.3958000    
 C   -4.222500      -1.130700      0.2883000    
 C   -4.951100     -2.3800001E-02 -0.1492000    
 C   -6.270400      -2.338900      0.3286000    
 H    4.867100      0.2864000     -0.9285000    
 H    3.982200      -1.691600       1.236300    
 H    3.291200       1.007000       1.597000    
 H    2.782600      -1.389400      -1.593600    
 H    2.159400      0.8890000      -1.260500    
 H    1.993700      -3.230700      0.7255000    
 H    2.829700      -3.747900     -0.7582000    
 H  -5.5100001E-02  0.9546000      -1.267700    
 H    6.321800     -0.4229000      0.6620000    
 H    5.078300      -2.001200      -1.372700    
 H    3.892400       2.380200     -0.8189000    
 H   0.3262000      -2.412800     -0.6037000    
 H   -2.836300       3.331100     -0.6094000    
 H   -2.280500      -1.891100      0.8316000    
 H   -4.882800       2.046800     -0.7240000    
 H   -6.023400     -3.3100002E-02 -0.3121000    
 H   -6.526700      -2.161400     -0.7213000    
 H   -6.792100      -1.653600       1.005200    
 H   -6.611000      -3.350200      0.5738000    


%chk=000161229-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161229

0 1
O 2.232510 -1.675556 -0.566501
O 0.252986 -0.456912 -0.430802
O 4.318446 1.210158 1.661465
O 5.832228 -0.828233 0.251675
O 1.695300 1.911005 0.497810
O 3.434835 -3.834962 -1.929558
O -1.787400 -0.816041 -1.569197
O 0.245217 2.178648 -2.073047
O -5.762010 -1.576809 0.992496
N -1.799313 1.928719 -0.967065
C 3.794189 0.554966 0.469411
C 4.357871 -0.882380 0.374231
C 2.250547 0.563954 0.546629
C 3.704495 -1.679172 -0.769170
C 1.678368 -0.313317 -0.597754
C 4.089412 -3.161619 -0.809002
C -0.545679 -0.090712 -1.620951
C -0.682068 1.444024 -1.600717
C -2.786292 -0.288696 -0.713132
C -2.813997 1.100156 -0.416884
C -3.774187 -1.154776 -0.237421
C -3.854685 1.605757 0.385407
C -4.821850 -0.632896 0.561650
C -4.863409 0.749865 0.877484
C -6.854413 -1.103520 1.847454
H 4.106676 1.109505 -0.452313
H 4.196839 -1.398435 1.336935
H 1.934956 0.149316 1.518701
H 3.936103 -1.207934 -1.754419
H 1.917662 0.154302 -1.583900
H 3.818951 -3.630134 0.160717
H 5.172624 -3.272436 -0.972772
H -0.035487 -0.411588 -2.545247
H 5.294033 1.019756 1.691570
H 6.068621 -0.439000 -0.631404
H 1.642554 2.233432 -0.443786
H 2.458746 -3.684678 -1.828948
H -1.855849 2.943535 -0.837797
H -3.737306 -2.220777 -0.472048
H -3.882288 2.673517 0.631950
H -5.660831 1.165643 1.498039
H -7.482491 -0.358658 1.321291
H -6.466923 -0.668284 2.788864
H -7.450988 -1.999634 2.070761


