%chk=000153390.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153390

0 1
 O   -1.760300       1.559100     -0.9227000    
 O   -4.235600      0.3053000     -0.4745000    
 O  -0.4806000      -2.468800      -1.195600    
 O    2.934100       2.100600      0.3984000    
 N   -1.517000     -0.9776000      0.2063000    
 N   0.3343000       1.481200      0.1561000    
 C   -1.541600      0.1807000       1.087300    
 C   -2.988500      0.2402000       1.605800    
 C   -3.811500     -0.5387000      0.5867000    
 C   -2.839300      -1.576200      5.4600000E-02
 C   -1.099700       1.428600      0.3291000    
 C  -0.4098000      -1.504900     -0.4302000    
 C   0.9379000     -0.9217000     -0.1717000    
 C    1.232400      0.4388000      3.6499999E-02
 C    2.598000      0.7863000      0.1871000    
 C    1.988200      -1.867300     -0.2174000    
 C    3.626100     -0.1547000      0.1383000    
 C   -1.338300       2.725500      -1.616600    
 C    3.318700      -1.488400     -6.1099999E-02
 C    5.052700      0.2520000      0.3038000    
 H  -0.8681000     -1.8000000E-03   1.934700    
 H   -3.034700     -0.2810000       2.570400    
 H   -3.342900       1.264800       1.754300    
 H   -4.703800     -0.9888000       1.032000    
 H   -2.848300      -2.480700      0.6727000    
 H   -3.010700      -1.852800     -0.9904000    
 H   -1.376400       2.297500      0.9408000    
 H   0.7417000       2.411900      0.1790000    
 H   -4.717300     -0.2472000      -1.113600    
 H    1.781800      -2.924900     -0.3730000    
 H    4.095100      -2.247100     -0.1011000    
 H  -0.3280000       2.603900      -2.018700    
 H   -1.396800       3.613400     -0.9788000    
 H   -2.013700       2.872100      -2.464500    
 H    5.727600     -0.6084000      0.2309000    
 H    5.349500      0.9559000     -0.4809000    
 H    5.216100      0.7026000       1.288400    
 H    3.890900       2.220300      0.4918000    


%chk=000153390-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153390

0 1
O -1.788545 1.436362 -0.898476
O -4.285355 0.388805 -0.554159
O -0.547450 -2.709315 -0.949350
O 2.816782 2.148606 0.473503
N -1.555315 -1.051107 0.285610
N 0.336305 1.457444 0.330172
C -1.590864 0.137616 1.161717
C -3.072607 0.192319 1.625578
C -3.880159 -0.526479 0.507827
C -2.901958 -1.620655 0.017576
C -1.094430 1.412210 0.424750
C -0.434820 -1.623408 -0.283927
C 0.922805 -0.991810 -0.082686
C 1.229674 0.383751 0.164666
C 2.610279 0.760068 0.241966
C 2.007879 -1.903432 -0.239640
C 3.676744 -0.145248 0.101202
C -1.428669 2.587426 -1.734707
C 3.347303 -1.504561 -0.144338
C 5.115521 0.329316 0.203103
H -0.910941 0.004464 2.025593
H -3.173714 -0.358137 2.578408
H -3.442022 1.220111 1.777459
H -4.820615 -0.958560 0.884599
H -3.027408 -2.573442 0.568127
H -3.023205 -1.831026 -1.057206
H -1.416960 2.319977 0.979045
H 0.803336 2.357266 0.462612
H -3.447800 0.848507 -0.873590
H 1.743009 -2.940062 -0.466838
H 4.150894 -2.238880 -0.264422
H -0.354382 2.558766 -1.992667
H -1.668033 3.545750 -1.227825
H -2.032384 2.493469 -2.650284
H 5.809604 -0.514360 0.058300
H 5.365698 1.084877 -0.569834
H 5.344616 0.767676 1.195758
H 3.779388 2.365394 0.496577


