%chk=000102969.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102969

0 1
 O    1.526800      0.7578000      4.0300000E-02
 O   -5.937700     -0.3123000       1.355100    
 O   -6.140200     -0.5348000     -0.8918000    
 O   0.2298000       2.022700      -1.371300    
 N  -0.5656000       1.287400      0.6815000    
 N   -3.760000      -1.818700      -1.127500    
 C   -3.060200     -0.3873000      0.7726000    
 C   -2.902700      0.9218000     -1.7300000E-02
 C   -4.118600      -1.348100      0.2099000    
 C   -1.881300       1.862500      0.6174000    
 C   -5.489600     -0.7009000      0.1318000    
 C   0.3828000       1.414000     -0.3174000    
 C    2.598100      0.8079000     -0.9086000    
 C    3.769800      4.4100001E-02 -0.3652000    
 C    4.722000      0.7012000      0.4062000    
 C    3.892700      -1.313900     -0.6375000    
 C    5.811200     -8.7000001E-03  0.9115000    
 C    4.981900      -2.023800     -0.1321000    
 C    5.941000      -1.371200      0.6425000    
 H   -2.097500     -0.9125000      0.8152000    
 H   -3.320000     -0.1400000       1.810100    
 H   -2.591700      0.7032000      -1.045200    
 H   -3.863500       1.445600     -7.3399998E-02
 H   -4.206100      -2.225500      0.8607000    
 H   -1.834300       2.793500      4.1800000E-02
 H   -2.178100       2.115100       1.640900    
 H  -0.3153000      0.7530000       1.508000    
 H   -3.714400      -1.036400      -1.778500    
 H   -2.824800      -2.223900      -1.107900    
 H    2.879300       1.852100      -1.094300    
 H    2.269900      0.3721000      -1.860500    
 H    4.629500       1.761700      0.6237000    
 H    3.150300      -1.832500      -1.237800    
 H   -6.823200      0.1066000       1.303400    
 H    6.557800      0.4991000       1.515100    
 H    5.082800      -3.084800     -0.3409000    
 H    6.788900      -1.924100       1.036300    


%chk=000102969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102969

0 1
O 1.584326 2.403589 0.332142
O -4.639785 -1.960649 1.092637
O -3.910910 -2.079142 -1.108267
O 0.127888 2.020505 -1.495302
N -0.664150 2.500966 0.662580
N -1.259219 -1.954939 -0.277838
C -2.266794 -0.073169 1.148106
C -2.516104 0.922259 -0.002683
C -2.285199 -1.582511 0.696244
C -2.096415 2.374871 0.332351
C -3.650105 -1.908699 0.103112
C 0.313735 2.283151 -0.276358
C 2.733969 1.942434 -0.517777
C 2.950148 0.450669 -0.366811
C 3.821621 -0.052255 0.632270
C 2.262134 -0.464623 -1.207603
C 4.000938 -1.444297 0.796573
C 2.437865 -1.857247 -1.042028
C 3.307234 -2.349871 -0.039515
H -1.262358 0.103778 1.581562
H -3.007339 0.065254 1.960078
H -1.955567 0.604564 -0.901231
H -3.588622 0.932506 -0.280374
H -2.181357 -2.189489 1.617318
H -2.323156 3.022397 -0.534794
H -2.666333 2.756499 1.199478
H -0.363055 2.685820 1.619131
H -1.554309 -1.891815 -1.255547
H -0.317066 -1.605857 -0.089788
H 3.582270 2.525920 -0.127257
H 2.517721 2.223414 -1.562793
H 4.357792 0.649090 1.283640
H 1.589713 -0.074283 -1.979949
H -5.519201 -2.147108 0.664778
H 4.679057 -1.821740 1.570097
H 1.906813 -2.558227 -1.695782
H 3.443620 -3.429765 0.086401


