%chk=000089036.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089036

0 1
 O   0.7801000     -0.3778000      -1.625200    
 O    5.545200       1.033900     -0.6706000    
 O    4.773000      0.3240000       1.343800    
 N  -2.8700000E-02  -1.148200      0.4128000    
 C   -1.354600      -1.509700     -3.3700000E-02
 C   -2.293600     -0.3236000      1.6600000E-02
 C   -1.880800      -2.705400      0.7576000    
 C    2.229000     -0.3303000      0.3117000    
 C   0.9331000     -0.6086000     -0.4288000    
 C   -3.277700     -0.1999000     -0.9486000    
 C   -2.147900      0.6109000       1.027000    
 C    3.302400      0.2640000     -0.5945000    
 C   -4.143300      0.8929000     -0.9023000    
 C   -3.013600       1.703800       1.073300    
 C   -4.011200       1.844600      0.1086000    
 C    4.588700      0.5294000      0.1522000    
 H   -1.255200      -1.821500      -1.082000    
 H   0.1880000      -1.252700       1.400400    
 H   -2.863200      -3.021800      0.3907000    
 H   -1.196300      -3.556800      0.6757000    
 H   -1.983300      -2.466000       1.822500    
 H    2.012700      0.3570000       1.138800    
 H    2.584600      -1.271100      0.7498000    
 H   -3.390000     -0.9368000      -1.738500    
 H   -1.391600      0.5180000       1.800400    
 H    2.950700       1.211300      -1.018500    
 H    3.520100     -0.4277000      -1.416300    
 H   -4.920600       1.002300      -1.652800    
 H   -2.913600       2.443100       1.862600    
 H   -4.685900       2.694900      0.1454000    
 H    6.383800       1.207900     -0.1924000    


%chk=000089036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089036

0 1
O 1.107460 -1.511281 -1.438918
O 6.005035 -0.276724 -0.601252
O 4.720089 1.649220 -0.754148
N -0.038339 -0.476147 0.298375
C -1.322849 -1.177372 0.035612
C -2.485299 -0.196830 0.241459
C -1.404775 -2.483904 0.853469
C 2.310594 0.163383 -0.092556
C 1.091571 -0.690922 -0.466756
C -2.508833 1.002724 -0.520764
C -3.543423 -0.440824 1.150695
C 3.619569 -0.552020 -0.467905
C -3.558192 1.933921 -0.375978
C -4.597677 0.491610 1.298813
C -4.609074 1.681381 0.538503
C 4.780100 0.406484 -0.613943
H -1.271680 -1.457929 -1.035097
H -0.002285 0.179696 1.081752
H -2.317075 -3.053054 0.599119
H -0.532358 -3.114162 0.612941
H -1.404437 -2.288339 1.941489
H 2.256862 1.116331 -0.654690
H 2.296440 0.431016 0.980511
H -1.697963 1.199322 -1.232856
H -3.555859 -1.359501 1.746221
H 3.465926 -1.070832 -1.436232
H 3.889588 -1.340890 0.255374
H -3.561464 2.851117 -0.975560
H -5.408912 0.286336 2.006487
H -5.426402 2.402130 0.652743
H 6.743962 0.376159 -0.741210


