%chk=000117203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117203

0 1
 O  -0.2696000      0.7610000      3.5000001E-03
 O    1.987500      -1.897100     -0.3592000    
 O   -1.818700      0.9546000      -1.681100    
 O    2.282300      -3.322400       1.424400    
 N   -2.449800      0.9309000      0.5513000    
 N    1.774800      -4.122500     -0.6706000    
 C    2.162000      0.5605000     -0.2931000    
 C    2.449200       1.726800      0.6987000    
 C   0.7729000      0.7044000     -0.9602000    
 C    2.243200     -0.7815000      0.4830000    
 C    3.229600      0.5153000      -1.404400    
 C    2.415500       3.134900      9.2699997E-02
 C    2.654400       4.197500       1.156500    
 C   -1.543800      0.8887000     -0.4874000    
 C    2.037200      -3.127800      0.2386000    
 C   -3.876700       1.061300      0.3661000    
 C   -4.501100     -0.3001000      0.2515000    
 C   -4.382900      -1.209200       1.441800    
 C   -5.166200     -0.6752000     -0.8522000    
 H    3.435100       1.569100       1.156700    
 H    1.724000       1.681900       1.522100    
 H   0.7395000       1.608300      -1.580100    
 H   0.5889000     -0.1476000      -1.627400    
 H    3.242500     -0.8916000      0.9242000    
 H    1.511900     -0.7801000       1.301300    
 H    3.199100       1.413600      -2.029600    
 H    4.237200      0.4370000     -0.9808000    
 H    3.082700     -0.3393000      -2.074300    
 H    1.445200       3.332000     -0.3736000    
 H    3.182100       3.237400     -0.6819000    
 H    2.630100       5.195300      0.7073000    
 H    1.883900       4.155800       1.933000    
 H    3.630900       4.063000       1.632600    
 H   -2.092400      0.8568000       1.499100    
 H   -4.279300       1.592300       1.235000    
 H   -4.065300       1.675100     -0.5217000    
 H    1.770300      -5.099700     -0.3982000    
 H    1.577300      -3.910800      -1.642900    
 H   -3.336600      -1.471400       1.627400    
 H   -4.783400     -0.7189000       2.335100    
 H   -4.937300      -2.143400       1.301600    
 H   -5.262000     -1.3000000E-02  -1.706200    
 H   -5.628200      -1.654000     -0.9284000    


%chk=000117203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117203

0 1
O -0.212327 0.884038 -0.075862
O 1.931667 -1.827753 -0.472113
O -1.778702 0.823862 -1.842701
O 1.788322 -3.311993 1.355643
N -2.430338 0.956651 0.415041
N 1.486391 -4.021981 -0.863565
C 2.213629 0.609742 -0.318187
C 2.456939 1.745673 0.726596
C 0.883386 0.804937 -1.076301
C 2.172259 -0.712711 0.479913
C 3.351167 0.557046 -1.372391
C 2.529111 3.185394 0.167791
C 2.769987 4.220306 1.289161
C -1.517116 0.876967 -0.613962
C 1.736411 -3.088626 0.120526
C -3.882691 0.911076 0.164535
C -4.496617 -0.481277 0.324825
C -4.356183 -1.127860 1.690304
C -5.140612 -1.075715 -0.712205
H 3.405918 1.526449 1.260240
H 1.648494 1.705540 1.483256
H 0.889554 1.736573 -1.670222
H 0.685801 -0.043021 -1.754108
H 3.132372 -0.891880 0.998951
H 1.358716 -0.703493 1.225825
H 3.351895 1.455515 -2.015178
H 4.335503 0.498366 -0.871713
H 3.244744 -0.330368 -2.020010
H 1.585233 3.434206 -0.355029
H 3.340539 3.265579 -0.581408
H 2.817379 5.248399 0.885801
H 1.956407 4.187509 2.038105
H 3.720858 4.019915 1.818397
H -2.068836 0.986799 1.368316
H -4.369672 1.616316 0.868137
H -4.048762 1.279832 -0.861166
H 1.321842 -4.985701 -0.588337
H 1.437673 -3.744379 -1.840606
H -3.291554 -1.310869 1.935495
H -4.766223 -0.475653 2.487545
H -4.881059 -2.096713 1.736589
H -5.207072 -0.596639 -1.695887
H -5.608431 -2.062160 -0.609846


