%chk=000126831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126831

0 1
 O    3.961200     -0.3278000     -0.8313000    
 O    2.511000       2.598500      0.6495000    
 O    5.031300       2.436400     -0.3801000    
 O    5.583400      -2.197000      0.4885000    
 O   0.2265000       1.293300      -1.390400    
 O   -1.509600      -2.782700      9.9399999E-02
 O   -2.062600       1.063500      0.9003000    
 N    1.654900     -0.2811000     -0.4521000    
 N  -0.6936000     -0.7221000     -0.6680000    
 C    3.143500       1.335200      0.6456000    
 C    4.651700       1.447600      0.5768000    
 C    2.830300      0.5286000     -0.6029000    
 C    5.048400      8.4799998E-02  2.5699999E-02
 C    5.228100     -0.9727000       1.106600    
 C   0.3843000      0.1818000     -0.8760000    
 C    1.790800      -1.535500      0.1230000    
 C   0.7798000      -2.379700      0.3184000    
 C  -0.5860000      -1.993700     -8.9100003E-02
 C   -2.020800     -0.2901000      -1.092100    
 C   -2.694300      0.4253000      6.1200000E-02
 C   -4.179900      0.3848000      0.1498000    
 C   -4.911300      0.2931000      -1.014400    
 C   -4.771500      0.4406000       1.392900    
 C   -6.303200      0.2555000     -0.9313000    
 C   -6.163400      0.4029000       1.476100    
 C   -6.929200      0.3105000      0.3140000    
 H    2.853900      0.8005000       1.558300    
 H    5.120000       1.708700       1.529200    
 H    2.709000       1.177000      -1.478900    
 H    5.944900      0.1332000     -0.6029000    
 H    4.326500      -1.130200       1.703200    
 H    6.039300     -0.6841000       1.783200    
 H    1.551900       2.444700      0.6068000    
 H    4.714100       2.166500      -1.258000    
 H    2.773100      -1.856800      0.4316000    
 H   0.9290000      -3.352800      0.7710000    
 H   -1.950200      0.3973000      -1.941000    
 H   -2.602600      -1.168900      -1.387500    
 H    5.706000      -2.851100       1.197500    
 H   -4.449700      0.2660000      -1.996100    
 H   -4.187300      0.5075000       2.305800    
 H   -6.899900      0.1874000      -1.836200    
 H   -6.651000      0.4445000       2.445700    
 H   -8.013000      0.2818000      0.3787000    


%chk=000126831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126831

0 1
O 4.131448 -0.191247 -0.787408
O 2.112400 2.696852 -0.198022
O 4.749813 2.691939 -0.039316
O 5.080852 -2.003172 1.142820
O 0.173169 0.979332 -1.182004
O -1.228423 -3.488729 -0.822555
O -1.615845 -0.281158 1.291790
N 1.777594 -0.688343 -0.844235
N -0.520725 -1.255926 -1.017003
C 2.649893 1.430832 0.256667
C 4.105428 1.656433 0.751305
C 2.821537 0.399269 -0.906230
C 4.782272 0.301123 0.467186
C 4.607392 -0.698478 1.619415
C 0.453123 -0.255637 -1.018239
C 2.110700 -2.025827 -0.663670
C 1.144280 -3.002422 -0.654657
C -0.262549 -2.672047 -0.825342
C -1.920531 -0.820995 -1.070799
C -2.396466 -0.285029 0.299873
C -3.801479 0.220865 0.393543
C -4.703402 0.175679 -0.704829
C -4.241121 0.763470 1.632407
C -6.018937 0.664932 -0.564166
C -5.554004 1.252724 1.770337
C -6.446497 1.204603 0.671470
H 2.023523 0.992626 1.059206
H 4.127308 1.921331 1.828352
H 2.727865 0.898483 -1.887770
H 5.846811 0.421395 0.214303
H 3.542911 -0.758882 1.934870
H 5.209903 -0.337963 2.480240
H 1.239625 2.477852 -0.639059
H 4.022355 3.302747 -0.345908
H 3.179822 -2.219355 -0.529480
H 1.404342 -4.051289 -0.512142
H -2.032917 -0.032788 -1.834677
H -2.518302 -1.707035 -1.352042
H 5.138645 -2.631231 1.905685
H -4.391654 -0.241675 -1.668082
H -3.531808 0.787554 2.466290
H -6.710233 0.625765 -1.412724
H -5.885612 1.670208 2.727070
H -7.468707 1.584413 0.778029


