%chk=000072615.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072615

0 1
 O  -0.5063000      -1.239600      0.4468000    
 O   -4.828300      -1.862100     -0.2567000    
 O   -6.084900      0.1949000     -0.1972000    
 O    3.933900      -2.411000     -0.6106000    
 O    5.725800     -0.5649000      0.4341000    
 O   -1.936400      -3.010100      2.4100000E-02
 N   1.9700000E-02   2.335600     -0.4510000    
 C   0.2943000      0.8814000     -0.4431000    
 C  -0.6001000      0.2026000      0.6067000    
 C    1.751500      0.5124000     -0.2173000    
 C   0.7149000       3.029300      0.6402000    
 C    2.235300       2.857100      0.6088000    
 C    2.659900       1.441200      0.3212000    
 C   -2.047600      0.4501000      0.4178000    
 C   -2.691800     -0.7507000      0.1855000    
 C   0.2984000       2.940400      -1.754000    
 C    2.198800     -0.7824000     -0.5252000    
 C    3.994600       1.066000      0.5312000    
 C   -1.718400      -1.827800      0.1979000    
 C   -2.760400       1.647300      0.4584000    
 C   -4.044500     -0.7838000     -1.5600000E-02
 C    3.526500      -1.147800     -0.3048000    
 C    4.423800     -0.2241000      0.2237000    
 C   -4.754900      0.3939000      1.9700000E-02
 C   -4.145900       1.620100      0.2537000    
 C   -6.123200      -1.237000     -0.3736000    
 C    3.827800      -3.392300      0.4189000    
 C    6.637300     -0.3386000     -0.6397000    
 H   1.4200000E-02  0.4744000      -1.426800    
 H  -0.2978000      0.4295000       1.635900    
 H   0.3328000       2.658700       1.599900    
 H   0.4649000       4.097700      0.6316000    
 H    2.644100       3.175500       1.575400    
 H    2.666300       3.508400     -0.1615000    
 H   6.4000003E-02   4.010700      -1.739100    
 H  -0.3434000       2.495400      -2.522700    
 H    1.339400       2.820400      -2.071400    
 H    1.521300      -1.509900     -0.9653000    
 H    4.702900       1.787600      0.9324000    
 H   -2.281900       2.594700      0.6775000    
 H   -4.725800       2.536100      0.2865000    
 H   -6.789500      -1.665800      0.3837000    
 H   -6.530900      -1.457200      -1.366800    
 H    4.194200      -4.343900      2.4300000E-02
 H    2.783500      -3.517900      0.7224000    
 H    4.439400      -3.112700       1.282500    
 H    6.684100      0.7272000     -0.8846000    
 H    6.343300     -0.9149000      -1.522600    
 H    7.630000     -0.6685000     -0.3215000    


%chk=000072615-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072615

0 1
O -0.446284 -1.056167 0.772517
O -4.839826 -2.056830 -0.191439
O -6.193155 -0.092543 -0.507273
O 3.836733 -2.389012 -0.769741
O 5.802090 -0.545054 0.374286
O -1.686482 -3.020281 0.509338
N 0.066275 2.552230 -0.260205
C 0.280987 1.081507 -0.331934
C -0.682972 0.419543 0.714320
C 1.750079 0.659014 -0.155384
C 0.819986 3.175620 0.859902
C 2.351016 2.996100 0.732952
C 2.716960 1.559197 0.376527
C -2.161077 0.545771 0.380559
C -2.708732 -0.765769 0.269563
C 0.252626 3.235899 -1.560326
C 2.157333 -0.643972 -0.532882
C 4.057667 1.126145 0.520248
C -1.657607 -1.779200 0.510116
C -2.945771 1.697364 0.196149
C -4.067131 -0.894160 -0.030969
C 3.486494 -1.072874 -0.374761
C 4.458518 -0.171583 0.148857
C -4.853388 0.265941 -0.215812
C -4.330906 1.559533 -0.112708
C -6.221073 -1.579479 -0.499418
C 4.075043 -3.302013 0.373060
C 6.551218 -0.979645 -0.827831
H -0.067394 0.740903 -1.326147
H -0.448023 0.802612 1.724442
H 0.475087 2.721274 1.807928
H 0.555422 4.248272 0.900632
H 2.845237 3.295209 1.677139
H 2.741371 3.677382 -0.050645
H 0.050936 4.314978 -1.433412
H -0.474243 2.837448 -2.290380
H 1.272770 3.122736 -1.995117
H 1.433050 -1.363655 -0.925534
H 4.821334 1.803186 0.920006
H -2.481055 2.682940 0.270592
H -4.970882 2.432501 -0.264047
H -6.900425 -1.926104 0.297344
H -6.505183 -1.942987 -1.501256
H 4.346029 -4.270953 -0.073482
H 3.151681 -3.408313 0.972728
H 4.898286 -2.926820 1.009633
H 6.660076 -0.132039 -1.531527
H 6.041190 -1.820566 -1.329275
H 7.541015 -1.287685 -0.457634


