%chk=000178286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178286

0 1
 O   0.9726000       3.754200     -0.2549000    
 O   -4.088300      -1.622300      -2.715300    
 O   -1.983500       1.549700       3.190200    
 O   -5.169200      -1.971300     -0.8367000    
 O   -3.722700      0.2106000       3.223500    
 N   0.9418000       1.516600     -0.8687000    
 N    3.001000       2.661500     -0.4481000    
 N   -4.245500      -1.423900      -1.486200    
 N   -2.785300      0.7772000       2.611400    
 C    3.223100      -3.511300      0.4501000    
 C    2.623700      -2.190100      0.1035000    
 C  -0.3303000       1.583000      -1.595800    
 C    1.522600      0.2370000     -0.5330000    
 C   -1.444200      0.9163000     -0.8414000    
 C    2.849000      -1.085200      0.9245000    
 C    1.837800      -2.059600      -1.041500    
 C    2.288400      0.1502000      0.6005000    
 C    1.277400     -0.8240000      -1.365500    
 C    4.763100      -3.476400      0.4534000    
 C    2.710000      -4.055400       1.796700    
 C    1.594500       2.713300     -0.4995000    
 C   -1.592400       1.156500      0.5195000    
 C   -2.315900      6.5499999E-02  -1.511000    
 C   -3.350300     -0.5539000     -0.8097000    
 C   -2.627000      0.5373000       1.220900    
 C   -3.505900     -0.3180000      0.5562000    
 C    3.776900       3.508100      0.4474000    
 C    3.778700       1.754300      -1.290300    
 H    2.930300      -4.244800     -0.3136000    
 H  -0.1852000       1.161400      -2.596600    
 H  -0.6081000       2.632100      -1.757000    
 H    3.445200      -1.167900       1.829000    
 H    1.656600      -2.909100      -1.694600    
 H    2.426100      0.9658000       1.302400    
 H   0.6933000     -0.7576000      -2.275500    
 H    5.145800      -3.111600     -0.5063000    
 H    5.169400      -4.480200      0.6179000    
 H    5.156300      -2.824400       1.240800    
 H    1.615400      -4.106100       1.804100    
 H    3.094500      -5.065700       1.973800    
 H    3.022400      -3.427800       2.638200    
 H  -0.9101000       1.836800       1.022100    
 H   -2.175400     -0.1020000      -2.576000    
 H   -4.312600     -0.8009000       1.103100    
 H    3.115400       4.097100       1.088300    
 H    4.413800       2.876600       1.073200    
 H    4.395600       4.182800     -0.1506000    
 H    4.532500       2.363000      -1.804400    
 H    4.322700       1.024800     -0.6863000    
 H    3.189900       1.286400      -2.081500    


%chk=000178286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178286

0 1
O 0.715749 3.590526 -0.185145
O -3.295062 -2.622057 -1.687269
O -2.412553 2.932517 2.737621
O -4.539084 -2.482617 0.219657
O -3.950184 1.318492 3.220468
N 1.118022 1.475144 -1.126421
N 2.921787 2.833435 -0.305219
N -3.644712 -2.033928 -0.592700
N -3.034153 1.835882 2.473561
C 3.176555 -3.844520 0.136272
C 2.658961 -2.442669 -0.194861
C -0.244984 1.523111 -1.728032
C 1.662017 0.174445 -0.815990
C -1.327667 0.964293 -0.808139
C 2.600588 -1.423276 0.792390
C 2.207287 -2.118565 -1.498266
C 2.102761 -0.138968 0.496226
C 1.721991 -0.830557 -1.812875
C 4.651719 -3.813482 0.618054
C 2.269883 -4.550669 1.180339
C 1.555912 2.681602 -0.505366
C -1.675895 1.653067 0.381981
C -1.982303 -0.246748 -1.122758
C -2.968929 -0.753568 -0.248720
C -2.668571 1.110933 1.222128
C -3.337293 -0.095103 0.936574
C 3.380895 3.954008 0.534784
C 3.970190 2.084964 -1.017977
H 3.140810 -4.442543 -0.796671
H -0.235932 0.962379 -2.678763
H -0.453727 2.582882 -1.949252
H 2.930960 -1.638140 1.815699
H 2.241120 -2.883746 -2.283503
H 2.045823 0.623811 1.280637
H 1.404727 -0.606610 -2.837768
H 5.310772 -3.347676 -0.136697
H 5.017465 -4.838728 0.811860
H 4.751430 -3.238169 1.557354
H 1.225068 -4.612446 0.826997
H 2.631010 -5.577156 1.376311
H 2.270173 -4.003706 2.141642
H -1.171162 2.592836 0.635124
H -1.739050 -0.808027 -2.029873
H -4.102942 -0.498388 1.603303
H 2.516297 4.387942 1.057640
H 4.124519 3.594853 1.270991
H 3.847441 4.746779 -0.082276
H 4.747237 2.795659 -1.357020
H 4.447645 1.321055 -0.374543
H 3.551291 1.580045 -1.900810


