%chk=000041346.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041346

0 1
 O  -0.7536000       1.406300     -0.5872000    
 O   0.2867000       3.979900     -0.4137000    
 O  -0.1909000      -1.413900      -1.006300    
 O   -3.256100       2.048500      0.2944000    
 O   -4.478200      -2.655000      0.3081000    
 O   -6.134800     -0.7498000       1.013300    
 N    2.767800       1.247600     -0.7126000    
 C    1.975700       2.412600      -1.082600    
 C    1.048800       2.861300      4.9500000E-02
 C    3.647100       1.557900      0.4167000    
 C   8.2599998E-02   1.771300      0.5083000    
 C    3.555800      0.7747000      -1.852800    
 C   -1.675600      0.4270000     -0.3621000    
 C   -1.384100     -0.9201000     -0.5703000    
 C   -2.285500      -1.958200     -0.3583000    
 C    4.430700      0.3530000      0.8651000    
 C   -2.967500      0.7179000      8.8799998E-02
 C   -3.903000     -0.2982000      0.3141000    
 C   -3.580500      -1.647400      9.5700003E-02
 C    2.663800      0.4460000      -3.038000    
 C   -1.586300      -3.149500     -0.6882000    
 C  -0.3237000      -2.764100      -1.074600    
 C    3.901100     -0.4834000       1.838000    
 C    5.671700      9.5700003E-02  0.2996000    
 C   -5.251600      6.6600002E-02  0.7902000    
 C   0.8591000      -3.510000      -1.527200    
 C   -5.504200       1.505400      0.9930000    
 C    4.627200      -1.599400       2.253800    
 C    6.397800      -1.020400      0.7153000    
 C   -4.516100       2.365700      0.7374000    
 C    5.875600      -1.867900       1.692400    
 H    2.614400       3.254600      -1.384100    
 H    1.330600       2.215100      -1.945300    
 H    1.612200       3.236600      0.9075000    
 H    3.086200       1.895800       1.294100    
 H    4.338100       2.377400      0.1730000    
 H  -0.5517000       2.169300       1.309900    
 H   0.6157000      0.8938000      0.8911000    
 H    4.320400       1.499200      -2.159700    
 H    4.050400     -0.1718000      -1.618500    
 H    1.793300     -0.1498000      -2.743100    
 H    2.323900       1.340600      -3.568700    
 H    3.228700     -0.1468000      -3.766900    
 H   -1.959800      -4.163200     -0.6485000    
 H  -0.2874000       3.670200      -1.135000    
 H    2.928400     -0.2860000       2.279800    
 H    6.099600      0.7545000     -0.4507000    
 H    1.708700      -3.322600     -0.8631000    
 H   0.6676000      -4.587400      -1.537700    
 H    1.140800      -3.205000      -2.539900    
 H   -6.476600       1.829200       1.341500    
 H   -4.616900       3.435300      0.8595000    
 H    4.220300      -2.259900       3.013900    
 H    7.371300      -1.227700      0.2808000    
 H   -5.324600      -2.299000      0.6179000    
 H    6.441300      -2.736600       2.016500    


%chk=000041346-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041346

0 1
O -0.724557 1.138602 -0.112477
O 0.206373 3.256515 1.384764
O -0.530763 -1.879880 -0.392863
O -3.259986 2.168866 -0.014283
O -5.238279 -2.285359 -0.676851
O -6.685765 -0.187631 -0.505272
N 3.021620 1.509579 -0.458676
C 1.923050 2.481645 -0.238520
C 1.113657 2.151782 1.042263
C 4.264901 1.889904 0.253370
C 0.331053 0.842079 0.910304
C 3.256104 1.154541 -1.885315
C -1.806989 0.261832 -0.188004
C -1.721408 -1.138781 -0.350891
C -2.835655 -2.011773 -0.508395
C 5.212002 0.718461 0.510144
C -3.124508 0.771227 -0.187825
C -4.285913 -0.054010 -0.354866
C -4.143121 -1.473427 -0.515257
C 2.140656 0.272187 -2.475942
C -2.293797 -3.350179 -0.652098
C -0.920369 -3.254187 -0.581372
C 4.710259 -0.581683 0.769808
C 6.612969 0.928412 0.543649
C -5.622047 0.544762 -0.355285
C 0.205422 -4.228371 -0.657604
C -5.682862 1.990281 -0.176543
C 5.589956 -1.646132 1.066331
C 7.496331 -0.133826 0.843655
C -4.532781 2.718850 -0.015927
C 6.987156 -1.426158 1.107950
H 2.291144 3.528380 -0.144248
H 1.233056 2.457156 -1.099738
H 1.801717 2.064827 1.902871
H 3.968575 2.324343 1.229344
H 4.821997 2.698821 -0.283974
H -0.164512 0.574306 1.861887
H 0.980906 0.025515 0.552966
H 3.388173 2.070900 -2.513668
H 4.210893 0.599078 -1.929799
H 2.051297 -0.668682 -1.904137
H 1.155533 0.771962 -2.452173
H 2.368105 0.024929 -3.529582
H -2.868638 -4.261890 -0.792595
H -0.593379 3.160076 0.801189
H 3.626954 -0.738997 0.720040
H 7.015136 1.927883 0.333078
H 0.802132 -4.228551 0.273318
H -0.188000 -5.245039 -0.817021
H 0.890004 -3.984877 -1.490928
H -6.655582 2.485980 -0.168464
H -4.485462 3.799919 0.128538
H 5.188741 -2.646930 1.265146
H 8.577514 0.044783 0.865755
H -6.074543 -1.664425 -0.649704
H 7.670229 -2.251695 1.338025


