%chk=000161277.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161277

0 1
 O    1.997100     -0.9559000      0.2700000    
 O   -3.749200       1.646800     -0.8033000    
 O    2.071900       2.517100       1.011700    
 O    2.536800     -0.4216000      -1.921200    
 N   -2.553100       1.298900     -0.5113000    
 N    1.429400      0.3507000      0.3909000    
 C  -0.9184000     -0.3269000      0.2679000    
 C   8.9199997E-02  0.6309000      9.9200003E-02
 C   -2.254400      1.8200001E-02 -4.2800002E-02
 C  -0.2203000       1.903600     -0.3676000    
 C  -0.6462000      -1.622000      0.7358000    
 C   -3.282300     -0.9208000      0.1170000    
 C   -1.538000       2.222800     -0.6679000    
 C   -1.677000      -2.551400      0.8917000    
 C   -2.990700      -2.201700      0.5836000    
 C    2.339700       1.328800      0.8295000    
 C    3.753200      0.8598000       1.101400    
 C    2.521100      -1.195900     -0.9739000    
 C    3.091500      -2.581300      -1.010500    
 H   0.5219000       2.660700     -0.5925000    
 H   0.3200000      -1.969500       1.071100    
 H   -4.316200     -0.6784000     -0.1141000    
 H   -1.849900       3.183200      -1.052800    
 H   -1.457600      -3.546000       1.270200    
 H   -3.788800      -2.927600      0.7107000    
 H    4.302500       1.651000       1.621500    
 H    4.266300      0.6474000      0.1606000    
 H    3.754100     -2.4700001E-02   1.743800    
 H    3.507200      -2.776000      -2.003300    
 H    3.893200      -2.671200     -0.2733000    
 H    2.302900      -3.312000     -0.8139000    


%chk=000161277-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161277

0 1
O 2.102621 -1.003219 0.050920
O -3.696115 1.317746 -1.320862
O 1.833982 2.257731 1.642198
O 2.750036 0.191651 -1.882241
N -2.470701 1.059514 -0.874075
N 1.486374 0.258884 0.541330
C -0.916273 -0.381679 0.425561
C 0.163106 0.504927 0.071265
C -2.237337 -0.100740 -0.068745
C -0.110213 1.625711 -0.725514
C -0.751006 -1.536093 1.256361
C -3.340536 -0.939640 0.238045
C -1.416270 1.894681 -1.172968
C -1.840578 -2.355936 1.563645
C -3.140373 -2.062642 1.048255
C 2.313686 1.163215 1.238481
C 3.747635 0.720333 1.474511
C 2.675440 -0.884799 -1.273115
C 3.109560 -2.257085 -1.727244
H 0.691648 2.312929 -1.001610
H 0.245535 -1.760144 1.646980
H -4.318185 -0.670019 -0.169250
H -1.678358 2.758660 -1.784144
H -1.699332 -3.231012 2.206994
H -3.984325 -2.715473 1.294043
H 4.202657 1.420033 2.190707
H 4.322781 0.755864 0.531414
H 3.800187 -0.308601 1.867536
H 3.969659 -2.164455 -2.408003
H 3.361566 -2.901392 -0.871179
H 2.279030 -2.731951 -2.281095


