%chk=000166909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166909

0 1
 O   -5.403300      -2.691500       1.713700    
 O   -5.441900       2.214700      -2.081300    
 O    5.403500       2.688800       1.717100    
 O    5.446600      -2.214000      -2.078900    
 O   -4.703400     -0.6183000       2.325700    
 O   -4.350100       2.434500     -0.1007000    
 O    4.696000      0.6177000       2.327400    
 O    4.347400      -2.434800     -0.1027000    
 N   2.2000000E-03  1.9999999E-04 -0.9543000    
 N   -3.642700     -0.2206000     -0.1787000    
 N    3.641000      0.2213000     -0.1805000    
 C   -2.441600     -0.1268000      -1.008000    
 C    2.443500      0.1268000      -1.008300    
 C   -1.196900     -7.5499997E-02 -0.1270000    
 C    1.198300      7.6499999E-02 -0.1280000    
 C   -3.826500      -1.589700      0.3015000    
 C   -4.817800      0.2198000     -0.9296000    
 C    3.827500       1.591100      0.3005000    
 C    4.819700     -0.2198000     -0.9279000    
 C   -4.682400      -1.555000       1.537400    
 C   -4.821900       1.722800     -0.9784000    
 C    4.679800       1.554300       1.538900    
 C    4.823000      -1.722600     -0.9780000    
 H   -2.452000      0.7922000      -1.609300    
 H   -2.388200     -0.9606000      -1.721600    
 H    2.455700     -0.7927000      -1.608900    
 H    2.387900      0.9594000      -1.723200    
 H   -1.127200     -0.9566000      0.5191000    
 H   -1.256000      0.8069000      0.5233000    
 H    1.128000      0.9634000      0.5095000    
 H    1.258000     -0.7996000      0.5309000    
 H   5.2200001E-02 -0.8168000      -1.562400    
 H   -2.893700      -2.074000      0.6060000    
 H   -4.292700      -2.222100     -0.4642000    
 H   -5.754600     -6.4999998E-02 -0.4359000    
 H   -4.827700     -0.1954000      -1.944600    
 H    2.895000       2.077800      0.6021000    
 H    4.297300       2.221900     -0.4642000    
 H    5.754800      6.4300001E-02 -0.4307000    
 H    4.832700      0.1964000      -1.942500    
 H   -5.941600      -2.659800       2.533100    
 H   -5.451600       3.195500      -2.088600    
 H    5.939500       2.655600       2.538000    
 H    5.455600      -3.194900      -2.086900    


%chk=000166909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166909

0 1
O -5.095097 -3.102586 1.713795
O -5.630127 2.737264 -1.186504
O 4.788150 3.212785 1.672989
O 5.987708 -2.483246 -1.241023
O -5.711726 -0.864962 1.794285
O -3.539475 2.561723 -0.187218
O 5.631494 1.050012 1.743912
O 3.836231 -2.589941 -0.372080
N 0.009531 -0.272565 -0.915785
N -3.737877 -0.321564 -0.316839
N 3.722510 0.309111 -0.361193
C -2.461485 -0.245743 -1.069211
C 2.450934 0.096735 -1.097350
C -1.240153 -0.219761 -0.127255
C 1.250641 -0.056406 -0.139153
C -4.118635 -1.685358 0.052014
C -4.829103 0.515553 -0.818002
C 3.951171 1.705285 0.014106
C 4.898940 -0.385687 -0.886843
C -5.045415 -1.775288 1.260860
C -4.545135 2.006161 -0.670294
C 4.871592 1.888364 1.217207
C 4.794105 -1.902414 -0.779062
H -2.444189 0.682518 -1.663044
H -2.364561 -1.092600 -1.794533
H 2.544059 -0.834238 -1.684687
H 2.236379 0.918365 -1.819132
H -1.320516 -1.044498 0.625334
H -1.270360 0.729445 0.435984
H 1.116127 0.870448 0.452664
H 1.487901 -0.873959 0.578732
H 0.067880 -1.144507 -1.463049
H -3.208813 -2.258298 0.301783
H -4.618768 -2.258977 -0.772849
H -5.740772 0.317694 -0.226495
H -5.093118 0.335921 -1.890403
H 2.985787 2.174305 0.271243
H 4.378433 2.334820 -0.810476
H 5.786366 -0.096901 -0.296477
H 5.132522 -0.150794 -1.956662
H -5.725862 -3.166332 2.481527
H -5.451287 3.709462 -1.070713
H 5.413482 3.339425 2.437327
H 5.921933 -3.472972 -1.158533


