%chk=000042715.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042715

0 1
 O    3.237500      -3.585900     -0.6573000    
 O   0.1829000     -0.3559000       1.444000    
 O    2.667300       2.681200      -1.298400    
 O   -2.655300       1.428700       1.876700    
 N    2.546000      -1.020100      0.3627000    
 C    2.168400      -1.434700     -0.9956000    
 C    3.781600      -1.702300      0.7720000    
 C    2.705200      0.4308000      0.4370000    
 C    2.019800      -2.952400      -1.051000    
 C    3.595800      -3.213800      0.6742000    
 C    1.434000       1.153500      7.8699999E-02
 C   0.2233000      0.7200000      0.6056000    
 C    1.485300       2.248100     -0.7761000    
 C  -0.9534000       1.391100      0.2727000    
 C   0.3085000       2.919000      -1.109100    
 C  -0.9108000       2.490500     -0.5848000    
 C   -2.238300      0.9617000      0.8076000    
 C   -3.099000     -3.9700001E-02  0.1111000    
 C   0.3215000     -9.3900003E-02   2.838000    
 C    3.386800       3.658400     -0.5494000    
 C   -2.657900     -0.5737000      -1.077800    
 C   -4.299400     -0.3898000      0.6855000    
 C   -3.461900      -1.509600      -1.728700    
 C   -5.103200      -1.325700      3.4699999E-02
 C   -4.684400      -1.885600      -1.172400    
 H    2.938300      -1.122000      -1.713800    
 H    1.215500      -1.005100      -1.320100    
 H    4.034700      -1.441600       1.806000    
 H    4.617500      -1.396500      0.1293000    
 H    3.537000      0.7356000     -0.2095000    
 H    2.979600      0.7298000       1.456800    
 H    1.200300      -3.302200     -0.4111000    
 H    1.797900      -3.268200      -2.075500    
 H    4.533800      -3.721500      0.9207000    
 H    2.830500      -3.573000       1.373100    
 H   0.3340000       3.775700      -1.777100    
 H   -1.821000       3.021600     -0.8517000    
 H   0.5602000      -1.036000       3.339300    
 H  -0.6185000      0.2865000       3.247000    
 H    1.127000      0.6197000       3.038200    
 H    3.606300       3.295600      0.4596000    
 H    2.816900       4.591400     -0.4957000    
 H    4.331900       3.855500      -1.062800    
 H   -1.713700     -0.3079000      -1.540300    
 H   -4.646100      3.1900000E-02   1.623600    
 H   -3.136000      -1.946200      -2.668200    
 H   -6.055200      -1.618900      0.4676000    
 H   -5.310400      -2.614400      -1.678900    


%chk=000042715-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042715

0 1
O 4.360033 -3.360487 -0.526471
O 0.018519 -0.831337 1.719388
O 2.631482 2.522184 -0.704693
O -2.563067 0.298782 2.259429
N 2.998262 -1.093849 0.676326
C 2.848161 -1.404161 -0.769694
C 4.333078 -1.536788 1.158486
C 2.773417 0.347160 0.994964
C 3.035448 -2.911787 -0.993985
C 4.509775 -3.042844 0.902175
C 1.415573 0.873427 0.543744
C 0.166420 0.311083 0.935364
C 1.379360 1.982440 -0.361554
C -1.073072 0.822942 0.430483
C 0.166389 2.482260 -0.891303
C -1.046429 1.885188 -0.499018
C -2.390127 0.371466 1.004466
C -3.529472 0.068889 0.065500
C 0.779778 -1.007748 2.963274
C 2.666419 3.630329 -1.662761
C -3.322277 -0.260805 -1.300759
C -4.851702 0.065368 0.586968
C -4.418960 -0.585083 -2.129650
C -5.945946 -0.247275 -0.242760
C -5.732353 -0.573282 -1.605076
H 3.594731 -0.842830 -1.386385
H 1.837006 -1.105472 -1.099664
H 4.410128 -1.335714 2.245510
H 5.159297 -0.978079 0.649174
H 3.557092 0.985541 0.532331
H 2.880579 0.454953 2.091932
H 2.239432 -3.466843 -0.452749
H 3.003200 -3.163520 -2.066927
H 5.524691 -3.376763 1.175320
H 3.757751 -3.610119 1.492876
H 0.154150 3.327024 -1.584137
H -1.991947 2.282639 -0.883487
H 0.196062 -1.740205 3.541721
H 0.837046 -0.058733 3.527265
H 1.783110 -1.407726 2.734911
H 2.133954 4.517228 -1.269238
H 2.231145 3.335527 -2.636870
H 3.733948 3.863461 -1.788459
H -2.303922 -0.286009 -1.702697
H -4.988601 0.303717 1.647149
H -4.251014 -0.851084 -3.179237
H -6.962753 -0.241793 0.165271
H -6.582995 -0.821570 -2.250057


