%chk=000100392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100392

0 1
 O    2.103100     -0.6138000      9.1100000E-02
 O    1.466000       1.614500     -0.1787000    
 O    6.008400      0.4517000      0.7846000    
 O    5.364800      -2.279700      9.0899996E-02
 O    4.178000       2.319400     -0.5727000    
 O    1.251100      -3.201500     -0.2746000    
 O   -4.511100      0.5671000      0.1869000    
 O   -4.052600      -1.702300      0.4012000    
 N   -6.119300     -0.9702000     -0.3567000    
 C    4.887900      8.0300003E-02 -1.9900000E-02
 C    4.402700      -1.291300      0.4496000    
 C    3.789100       1.133800      0.1204000    
 C    3.056800      -1.639600     -0.1907000    
 C    2.469000      0.6430000     -0.4739000    
 C    2.495900      -2.950400      0.3517000    
 C   0.2023000       1.345900     -0.6284000    
 C  -0.8776000       1.229200      0.2602000    
 C   -2.167100      0.9514000     -0.2528000    
 C   1.7300000E-02   1.192100      -2.001600    
 C  -0.7080000       1.381200       1.646000    
 C   -2.336700      0.7992000      -1.638600    
 C   -1.250600      0.9191000      -2.506100    
 C   -3.248800      0.8341000      0.6351000    
 C   -1.794000       1.261300       2.513500    
 C   -3.062000      0.9883000       2.009000    
 C   -4.829800     -0.8002000      0.1034000    
 C   -6.734800      -2.262700     -0.5488000    
 H    5.250500      3.6400001E-02  -1.054200    
 H    4.321500      -1.294300       1.543500    
 H    3.659800       1.410200       1.173700    
 H    3.151800      -1.737000      -1.280800    
 H    2.575200      0.5447000      -1.562000    
 H    2.321400      -2.895300       1.431300    
 H    3.162100      -3.792800      0.1445000    
 H    6.681700     -0.2430000      0.6843000    
 H    5.438200      -2.289400     -0.8788000    
 H    4.299700       2.094500      -1.510900    
 H   0.6702000      -2.443600     -8.9599997E-02
 H   0.8419000       1.304300      -2.699700    
 H   0.2697000       1.594300       2.072900    
 H   -3.313400      0.5904000      -2.069100    
 H   -1.396600      0.8053000      -3.576400    
 H   -1.649300       1.381100       3.583200    
 H   -3.902300      0.8974000       2.692200    
 H   -6.664800     -0.1417000     -0.5734000    
 H   -7.003300      -2.358900      -1.603700    
 H   -7.641300      -2.302600      5.9900001E-02
 H   -6.059700      -3.072500     -0.2627000    


%chk=000100392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100392

0 1
O 2.873279 -0.884986 0.845916
O 1.290211 0.701056 0.328288
O 5.938714 1.513254 -0.709464
O 6.578452 -1.242604 0.098098
O 3.214002 1.963515 -1.517763
O 3.177164 -3.575203 1.696170
O -4.707011 -0.107546 -0.513247
O -6.336545 -0.740362 1.123374
N -6.867109 -0.279625 -1.117308
C 4.939662 0.444420 -0.648849
C 5.285034 -0.604381 0.421350
C 3.593315 1.132895 -0.374418
C 4.127832 -1.618080 0.540309
C 2.477974 0.087373 -0.193116
C 4.280077 -2.617545 1.691228
C 0.093321 0.620525 -0.433592
C -1.094193 0.264973 0.293289
C -2.344515 0.235839 -0.436144
C 0.068804 0.940734 -1.792040
C -1.065980 -0.053776 1.688936
C -2.357237 0.544391 -1.835717
C -1.173763 0.887535 -2.493797
C -3.536257 -0.114932 0.295516
C -2.249961 -0.388777 2.345702
C -3.502920 -0.422138 1.658617
C -6.018078 -0.412437 -0.043959
C -8.307509 -0.519840 -1.002409
H 4.874837 -0.070785 -1.637805
H 5.466871 -0.112900 1.392823
H 3.674373 1.732543 0.554709
H 4.002436 -2.173365 -0.419891
H 2.272260 -0.437389 -1.152239
H 4.337341 -2.056329 2.647822
H 5.200773 -3.208962 1.565435
H 6.837624 1.092441 -0.704497
H 6.463553 -1.820923 -0.701426
H 3.945769 2.615067 -1.669980
H 2.333416 -3.052822 1.726681
H 0.986788 1.273109 -2.287275
H -0.108243 -0.022768 2.214315
H -3.307484 0.513823 -2.373572
H -1.192131 1.138121 -3.559932
H -2.235146 -0.633349 3.413206
H -4.420406 -0.684451 2.185836
H -6.456982 -0.001611 -2.008811
H -8.631238 -1.337873 -1.671903
H -8.885872 0.391347 -1.242288
H -8.522303 -0.809805 0.038121


