%chk=000047344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047344

0 1
 O   0.1198000       1.800900      0.1617000    
 O  -0.8146000       3.880100      0.5512000    
 O    3.029600      -2.205700      0.3178000    
 N    2.081300       3.648100       2.238900    
 C   -3.097500       1.831900     -0.6369000    
 C   -2.340800      0.6486000     -0.1381000    
 C   -2.186400       1.963300      0.5483000    
 C   -2.668600       2.400100      -1.948000    
 C   -4.564700       1.948900     -0.3888000    
 C   -3.052600     -0.4255000      0.5803000    
 C  -0.8969000       2.666900      0.4241000    
 C   -3.682400      -1.492700      5.2600000E-02
 C   -3.763000      -1.770800      -1.421700    
 C   -4.365500      -2.504900      0.9296000    
 C    1.413600       2.396700      2.3900000E-02
 C    2.413500       1.324500     -0.3414000    
 C    1.785600       3.094800       1.262600    
 C    2.251800      4.5800000E-02  0.1659000    
 C    3.471900       1.641100      -1.177100    
 C    3.174600     -0.9442000     -0.1719000    
 C    4.394500      0.6512000      -1.514900    
 C    4.245900     -0.6414000      -1.012500    
 C    1.764600      -2.768300      0.2831000    
 C    1.005700      -2.649500     -0.8670000    
 C    1.292900      -3.433900       1.400000    
 C  -0.2687000      -3.215400     -0.9015000    
 C   1.8500000E-02  -4.000000       1.365400    
 C  -0.7622000      -3.890700      0.2145000    
 H   -1.531900      0.2760000     -0.7581000    
 H   -2.656100       2.091900       1.519400    
 H   -1.612700       2.215300      -2.174100    
 H   -3.251500       1.958600      -2.764000    
 H   -2.828400       3.483600      -1.968100    
 H   -5.126200       1.332600      -1.099300    
 H   -4.857000       1.646300      0.6227000    
 H   -4.890700       2.987300     -0.5157000    
 H   -3.047600     -0.3356000       1.665700    
 H   -3.378800      -2.771500      -1.642900    
 H   -4.805100      -1.723200      -1.754500    
 H   -3.190300      -1.058300      -2.022300    
 H   -5.438600      -2.526300      0.7134000    
 H   -3.958800      -3.505000      0.7528000    
 H   -4.245000      -2.281600       1.994900    
 H    1.354700       3.111800     -0.8078000    
 H    1.436400     -0.1754000      0.8494000    
 H    3.597600       2.644900      -1.572700    
 H    5.228800      0.8869000      -2.169100    
 H    4.967500      -1.408500      -1.279600    
 H    1.376500      -2.150100      -1.757300    
 H    1.899500      -3.519500       2.296500    
 H  -0.8704000      -3.139300      -1.802000    
 H  -0.3652000      -4.527800       2.233600    
 H   -1.748800      -4.342100      0.1835000    


%chk=000047344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047344

0 1
O -0.534450 1.091865 0.874408
O -0.581276 3.424161 0.686879
O 3.860570 -1.635066 -1.309394
N 0.870411 -0.556767 3.487608
C -2.736483 1.093899 -1.344777
C -3.326756 0.854392 0.051537
C -2.434001 2.125306 -0.203552
C -1.644045 0.147947 -1.840088
C -3.630394 1.620364 -2.468712
C -4.765599 1.017116 0.383802
C -1.130315 2.316627 0.463362
C -5.442751 0.393366 1.394673
C -4.824059 -0.580171 2.381643
C -6.926272 0.648909 1.603266
C 0.827266 1.233000 1.514628
C 1.918524 1.042064 0.470478
C 0.847163 0.238269 2.599740
C 2.348395 -0.253627 0.098659
C 2.468164 2.188382 -0.154112
C 3.319652 -0.390303 -0.917248
C 3.453253 2.031499 -1.154556
C 3.881833 0.745506 -1.543712
C 3.092121 -2.829896 -1.244996
C 1.724633 -2.878677 -1.602871
C 3.802241 -4.001046 -0.905371
C 1.063672 -4.127316 -1.602091
C 3.128852 -5.242113 -0.914535
C 1.758022 -5.310725 -1.257829
H -2.792138 0.087026 0.620610
H -2.964438 3.077625 -0.303250
H -1.016767 -0.224669 -1.015207
H -2.111351 -0.718243 -2.346042
H -0.987366 0.654950 -2.572597
H -4.198468 0.788798 -2.926832
H -4.357839 2.374158 -2.121862
H -3.013978 2.088403 -3.258256
H -5.334379 1.709398 -0.253930
H -4.982139 -0.227632 3.419999
H -5.312991 -1.572069 2.309355
H -3.741207 -0.724785 2.241095
H -7.505515 -0.293627 1.534013
H -7.118719 1.062715 2.613315
H -7.333287 1.356108 0.859862
H 0.882001 2.255511 1.936763
H 1.943443 -1.138619 0.601023
H 2.114490 3.184575 0.130893
H 3.886462 2.913916 -1.636529
H 4.643642 0.600765 -2.315340
H 1.190572 -1.966203 -1.887537
H 4.861463 -3.923212 -0.643117
H 0.004730 -4.173001 -1.879460
H 3.675283 -6.153678 -0.649357
H 1.237926 -6.274271 -1.259953


