%chk=000055701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055701

1 1
 O   0.8769000      -2.144500     -0.3574000    
 O  -0.9626000     -3.5100002E-02 -0.4367000    
 O    3.556800       1.408500     -0.5819000    
 O    5.721300      0.7842000     -8.2400002E-02
 N    3.577800      -1.615800      0.3823000    
 C    2.424700     -0.9111000      0.9963000    
 C    4.098300     -0.8473000     -0.8399000    
 C    1.256600     -0.8202000      2.0199999E-02
 C    3.174300      -3.024100     -7.5599998E-02
 C    4.730400      -1.752400       1.386600    
 C   3.8400002E-02 -8.8200003E-02  0.5753000    
 C    4.585500      0.5198000     -0.4520000    
 C   -2.141200      0.5727000     -0.1090000    
 C   -3.360500     -0.1224000     -0.1586000    
 C    3.868900       2.764700     -0.2475000    
 C   -4.555500      0.5511000      0.1896000    
 C   -2.100500       1.912500      0.2781000    
 C   -3.420100      -1.471000     -0.5461000    
 C   -4.496000       1.899600      0.5774000    
 C   -3.275800       2.574700      0.6209000    
 C   -5.775000     -0.1438000      0.1402000    
 C    2.633400       3.617500     -0.4426000    
 C   -4.640500      -2.145800     -0.5898000    
 C   -5.815600      -1.483500     -0.2474000    
 H    2.128500      -1.498800       1.875200    
 H    2.739900      7.2800003E-02   1.358000    
 H    3.344700     -0.8103000      -1.630800    
 H    4.946100      -1.412500      -1.247800    
 H    1.531600     -0.3030000     -0.9023000    
 H    2.742700      -2.995100      -1.079400    
 H    2.542800      -3.492000      0.6854000    
 H    4.095900      -3.612700     -0.1600000    
 H    4.935400     -0.7767000       1.834700    
 H    5.610600      -2.143200      0.8676000    
 H    4.410500      -2.449300       2.167800    
 H  -0.3638000     -0.6315000       1.439300    
 H   0.3369000      0.9181000      0.8883000    
 H   0.1236000      -2.069700     -0.9679000    
 H    4.674200       3.125100     -0.8972000    
 H    4.193100       2.816800      0.7978000    
 H   -1.165700       2.465600      0.2983000    
 H   -2.520600      -2.018100     -0.8197000    
 H   -5.402200       2.437400      0.8484000    
 H   -3.244400       3.619100      0.9175000    
 H   -6.706000      0.3538000      0.4037000    
 H    1.813100       3.256300      0.1867000    
 H    2.286000       3.560800      -1.479400    
 H    2.835900       4.662900     -0.1939000    
 H   -4.673000      -3.188800     -0.8913000    
 H   -6.765300      -2.009400     -0.2815000    


%chk=000055701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055701

1 1
O 0.821792 -1.756305 -0.074628
O -1.225318 -0.192352 0.675866
O 4.096891 1.136630 -1.898838
O 3.775042 1.501016 0.385089
N 3.566784 -1.376334 0.809979
C 2.341516 -0.819527 1.592782
C 3.699323 -0.780593 -0.596206
C 1.092348 -0.566088 0.738937
C 3.418364 -2.899301 0.646815
C 4.828685 -1.099844 1.634938
C -0.122441 -0.254138 1.633710
C 3.859326 0.744435 -0.613820
C -2.542634 0.004323 1.183563
C -3.574584 0.041942 0.182557
C 4.263071 2.625454 -2.162063
C -4.940509 0.217787 0.631747
C -2.823429 0.148667 2.543238
C -3.305495 -0.083022 -1.218913
C -5.215712 0.358259 2.033548
C -4.179348 0.328483 2.964207
C -5.987038 0.250508 -0.347800
C 4.530220 2.778984 -3.651059
C -4.350224 -0.045734 -2.146447
C -5.701678 0.119426 -1.708355
H 2.137224 -1.567663 2.377741
H 2.663264 0.130546 2.045853
H 2.799632 -1.078738 -1.162025
H 4.576589 -1.246628 -1.075679
H 1.247271 0.309118 0.075439
H 2.461165 -3.096168 0.144673
H 3.426149 -3.356248 1.648345
H 4.271371 -3.274733 0.060198
H 4.969436 -0.013885 1.722818
H 5.689924 -1.565622 1.131017
H 4.697619 -1.547830 2.631926
H -0.296866 -1.066875 2.369051
H 0.001260 0.711013 2.163914
H -0.128893 -1.694473 -0.366688
H 5.097942 2.975945 -1.530859
H 3.331852 3.118833 -1.833681
H -2.034026 0.131322 3.300407
H -2.271115 -0.193999 -1.557100
H -6.252023 0.492498 2.361361
H -4.391063 0.441208 4.032128
H -7.020790 0.382687 -0.008952
H 3.690309 2.393045 -4.252085
H 5.452147 2.253499 -3.950307
H 4.655540 3.851063 -3.886420
H -4.137723 -0.139305 -3.216763
H -6.510649 0.146413 -2.445662


