%chk=000064885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064885

0 1
 O  -0.5886000      -3.293900     -0.9499000    
 O    5.808000     -0.1514000       1.478700    
 O   -5.256300       2.260000      -1.967400    
 O   -5.965600      0.4262000       2.400000    
 O   -6.586900       2.304800      0.4611000    
 N    3.875000      -1.196200     -0.1820000    
 N    1.116300      -1.964900     -9.9900000E-02
 N    6.514100       1.244900     -0.2375000    
 C    2.824200     -0.1814000     -1.4600000E-02
 C    3.386400      -2.310900      -1.006600    
 C    1.578400     -0.7848000      0.6367000    
 C    2.156100      -2.956600     -0.3702000    
 C    5.071600     -0.6029000     -0.7772000    
 C  -0.2098000      -2.241500     -0.4296000    
 C   -1.219500      -1.164300     -0.1228000    
 C    5.815800      0.1697000      0.2924000    
 C   -2.615600      -1.607100     -0.5357000    
 C   -3.674400     -0.5646000     -0.2700000    
 C    7.330500       2.131200      0.5609000    
 C   -4.342500     -0.5452000      0.9543000    
 C   -3.984600      0.3797000      -1.248700    
 C    8.508400       2.651700     -0.2534000    
 C    6.489100       3.276500       1.108700    
 C   -4.962800       1.343200      -1.003200    
 C   -5.320700      0.4183000       1.199900    
 C   -5.630900       1.362500      0.2211000    
 C   -4.527200       2.170400      -3.189900    
 C   -5.588600     -0.5734000       3.344800    
 H    3.174400      0.6391000      0.6225000    
 H    2.549300      0.2522000     -0.9856000    
 H    3.137900      -1.961300      -2.017600    
 H    4.164400      -3.077700      -1.103600    
 H   0.8045000     -1.8300001E-02  0.7073000    
 H    1.802300      -1.113700       1.659100    
 H    2.417200      -3.421500      0.5886000    
 H    1.774900      -3.748200      -1.023500    
 H    5.768300      -1.381600      -1.113400    
 H    4.832800      2.4499999E-02  -1.644100    
 H   -1.203100     -0.9540000      0.9528000    
 H  -0.9421000     -0.2529000     -0.6648000    
 H   -2.890900      -2.534000     -1.4200000E-02
 H   -2.633800      -1.864700      -1.603600    
 H    6.417000       1.456900      -1.226400    
 H    7.723400       1.557800       1.409200    
 H   -4.056400      -1.302300       1.676600    
 H   -3.430100      0.3166000      -2.179000    
 H    9.151300       3.295900      0.3553000    
 H    9.117300       1.821800     -0.6284000    
 H    8.169000       3.229400      -1.120400    
 H    7.093300       3.942500       1.733500    
 H    5.662500       2.898300       1.720100    
 H    6.052600       3.871100      0.2983000    
 H   -6.938900       2.163300       1.357200    
 H   -4.889000       2.974000      -3.839900    
 H   -4.726000       1.227600      -3.710900    
 H   -3.456900       2.345300      -3.035800    
 H   -5.812600      -1.581000       2.978000    
 H   -4.543500     -0.4636000       3.653800    
 H   -6.201400     -0.4183000       4.239000    


%chk=000064885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064885

0 1
O -0.431383 -3.289942 -1.357610
O 5.393385 0.485100 1.580774
O -5.493914 2.255793 -1.907148
O -5.968100 0.494777 2.459152
O -6.604054 2.284667 0.590313
N 3.828580 -1.122169 -0.233781
N 1.117597 -2.058664 -0.137991
N 6.697912 1.268320 -0.176331
C 2.725812 -0.178335 0.058551
C 3.384854 -2.218586 -1.127621
C 1.547330 -0.930027 0.711623
C 2.213799 -2.987331 -0.486398
C 5.060675 -0.479224 -0.695171
C -0.171444 -2.292253 -0.608993
C -1.266243 -1.295040 -0.191437
C 5.704799 0.461320 0.353148
C -2.669848 -1.743760 -0.671670
C -3.733212 -0.704638 -0.344404
C 7.492902 2.204529 0.654309
C -4.330950 -0.669308 0.940014
C -4.106520 0.261985 -1.309606
C 8.899752 2.365414 0.045409
C 6.763558 3.559588 0.813929
C -5.062139 1.267491 -1.012838
C -5.280409 0.330713 1.232492
C -5.655598 1.306809 0.274253
C -4.930994 2.225425 -3.256939
C -5.687328 -0.462927 3.526789
H 3.096211 0.584345 0.763389
H 2.363421 0.331306 -0.872726
H 3.062487 -1.836294 -2.130439
H 4.229757 -2.915341 -1.284612
H 0.712542 -0.233269 0.877491
H 1.884648 -1.317126 1.693978
H 2.573167 -3.486993 0.435089
H 1.804543 -3.743829 -1.175419
H 5.796790 -1.276531 -0.921209
H 4.920715 0.102849 -1.648220
H -1.274647 -1.171173 0.909221
H -1.040688 -0.294415 -0.612231
H -2.909193 -2.715363 -0.202347
H -2.624253 -1.933533 -1.758161
H 6.866952 1.257838 -1.185290
H 7.567003 1.733686 1.651988
H -4.057698 -1.423071 1.685635
H -3.648676 0.218075 -2.302801
H 9.512992 3.032836 0.675681
H 9.416552 1.392202 -0.031229
H 8.849097 2.817851 -0.964796
H 7.331441 4.226522 1.488360
H 5.761346 3.402634 1.247525
H 6.653245 4.068034 -0.162380
H -6.894474 2.123571 1.528195
H -5.408408 3.065158 -3.783018
H -5.170751 1.275584 -3.774264
H -3.832483 2.370656 -3.242692
H -5.945281 -1.492986 3.214193
H -4.622866 -0.420768 3.828128
H -6.324708 -0.158985 4.370244


