%chk=000049800.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049800

0 1
 I  -2.4700001E-02  -2.823800     -0.8554000    
 I  -0.4367000       3.245100     -0.3507000    
 I    4.966700      0.4854000      0.3360000    
 O   -2.162200     -8.4700003E-02   1.364600    
 O    3.601800      -2.505100      -1.277300    
 O    2.742600       3.173700       1.488100    
 O    3.218900       3.559400     -0.7007000    
 N   -1.246300      0.1569000     -0.7847000    
 N    3.220800      -2.711500       1.000600    
 C   -4.784300     -0.1856000      0.4300000    
 C   -6.130600     -0.1776000     -0.2951000    
 C   -3.623900     -2.4599999E-02 -0.5496000    
 C   -7.289500     -0.3726000      0.6820000    
 C   -2.270400      9.1000004E-03  0.1464000    
 C   0.1444000      0.2303000     -0.5331000    
 C   -8.627700     -0.3989000     -3.9000001E-02
 C   0.8991000     -0.9351000     -0.5120000    
 C    2.269800     -0.8626000     -0.2642000    
 C   0.7356000       1.467000     -0.3109000    
 C    2.106400       1.539400     -6.3100003E-02
 C    2.873500      0.3747000     -3.9799999E-02
 C    3.074000      -2.085400     -0.2378000    
 C    2.739600       2.838000      0.1726000    
 C    4.002800      -3.911700       1.193200    
 H   -4.667500      -1.124300      0.9858000    
 H   -4.760500      0.6246000       1.169400    
 H   -6.255600      0.7715000     -0.8305000    
 H   -6.146400     -0.9767000      -1.046300    
 H   -3.621900     -0.8555000      -1.265300    
 H   -3.739800      0.9080000      -1.114900    
 H   -7.160100      -1.312600       1.231100    
 H   -7.293400      0.4369000       1.421100    
 H   -1.497700      0.2039000      -1.769700    
 H   -8.803100      0.5396000     -0.5745000    
 H   -9.442200     -0.5379000      0.6787000    
 H   -8.668000      -1.219900     -0.7619000    
 H    2.743200      -2.322400       1.808500    
 H    4.432700      -3.886600       2.197200    
 H    4.798000      -3.978100      0.4467000    
 H    3.336900      -4.773000       1.099400    
 H    3.167100       4.044500       1.642600    


%chk=000049800-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049800

0 1
I 0.227966 -2.722220 -1.380139
I -0.508492 3.307610 -0.406945
I 4.901463 0.631531 0.814388
O -1.891401 -0.989650 0.838614
O 3.995075 -2.315552 -1.128967
O 2.561201 3.318499 1.717680
O 3.206599 3.779469 -0.470403
N -1.219626 0.207614 -1.049771
N 3.068301 -2.778378 0.968747
C -4.678409 -0.189035 0.270334
C -6.115365 -0.336096 -0.275404
C -3.605560 -0.390890 -0.823936
C -7.194490 -0.119619 0.810227
C -2.189523 -0.425690 -0.248701
C 0.153204 0.296334 -0.685749
C -8.632031 -0.271232 0.267922
C 0.989522 -0.853998 -0.648795
C 2.332887 -0.780227 -0.204689
C 0.728780 1.549727 -0.340580
C 2.081507 1.662880 0.057316
C 2.863727 0.485176 0.145390
C 3.212458 -2.026129 -0.177647
C 2.679632 3.014845 0.361999
C 3.803574 -4.029594 1.186680
H -4.497620 -0.925113 1.075603
H -4.553519 0.813135 0.727376
H -6.280399 0.387336 -1.101701
H -6.240297 -1.347281 -0.717046
H -3.777598 -1.366169 -1.325098
H -3.699003 0.388310 -1.606436
H -7.029865 -0.842635 1.634600
H -7.068427 0.889557 1.252631
H -1.542363 0.754711 -1.851698
H -8.832684 0.461549 -0.536508
H -9.382922 -0.112847 1.063538
H -8.793091 -1.282160 -0.151968
H 2.389430 -2.471468 1.668733
H 4.381274 -3.987408 2.127377
H 4.498392 -4.161976 0.342486
H 3.114816 -4.893848 1.222140
H 2.964279 4.212734 1.895898


