%chk=000004557.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004557

0 1
 O   -1.821000      -2.764500      0.7917000    
 O    7.999000     -0.4900000      8.2999999E-03
 C   -4.884000      0.4215000      0.1719000    
 C   -3.978000     -0.7905000     -5.6400001E-02
 C   -6.363300      0.1306000     -0.1015000    
 C   -2.496500     -0.5025000      0.2231000    
 C   -7.323200       1.302200      0.1306000    
 C   -1.544300      -1.668600     -7.6099999E-02
 C   -8.793200       1.028700     -0.1956000    
 C   -9.694700       2.236200      8.1000002E-03
 C  -0.1162000      -1.259100      0.1566000    
 C   0.8357000      -1.324900     -0.7847000    
 C    2.173500     -0.9265000     -0.5208000    
 C    3.305200     -0.5907000     -0.3024000    
 C    4.598300     -0.2066000     -5.2000001E-02
 C    7.112900      0.5383000      0.4412000    
 C    5.730000      0.1301000      0.1670000    
 C    7.429200       1.802600     -0.3008000    
 C    7.830400       2.933400      0.2917000    
 H   -4.556300       1.246300     -0.4725000    
 H   -4.773000      0.7651000       1.207600    
 H   -4.312300      -1.617100      0.5821000    
 H   -4.086500      -1.127900      -1.094500    
 H   -6.467500     -0.2055000      -1.140900    
 H   -6.681700     -0.7097000      0.5283000    
 H   -2.194100      0.3691000     -0.3723000    
 H   -2.404300     -0.2139000       1.278900    
 H   -6.983000       2.153200     -0.4731000    
 H   -7.245200       1.617100       1.178900    
 H   -1.693300      -2.016500      -1.104300    
 H   -9.154200      0.2037000      0.4299000    
 H   -8.876400      0.6972000      -1.237400    
 H   -9.663800       2.574800       1.048600    
 H   -9.384600       3.067400     -0.6330000    
 H   -10.73070       1.983500     -0.2380000    
 H   0.1362000     -0.9003000       1.153100    
 H   -1.785000      -2.443400       1.709100    
 H   0.6010000      -1.684400      -1.781300    
 H    7.260700      0.6700000       1.519100    
 H    7.343600       1.791500      -1.385300    
 H    7.826500      -1.276900      0.5536000    
 H    8.053300       3.814300     -0.3005000    
 H    7.942800       3.001700       1.368000    


%chk=000004557-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004557

0 1
O -1.916926 -2.553591 0.924204
O 8.286374 -0.634540 -0.225629
C -5.028060 0.503784 0.162837
C -4.012582 -0.621186 -0.136897
C -6.478791 0.123687 -0.211062
C -2.562527 -0.238040 0.231503
C -7.503872 1.238616 0.095725
C -1.562414 -1.401581 0.046029
C -8.954869 0.851860 -0.272100
C -9.974218 1.969487 0.037568
C -0.134086 -0.983305 0.302501
C 0.900520 -1.229535 -0.561678
C 2.255468 -0.863101 -0.336058
C 3.457297 -0.566741 -0.182657
C 4.772056 -0.239733 -0.003761
C 7.389740 0.398842 0.360657
C 5.969225 0.054847 0.164317
C 7.745374 1.708134 -0.321847
C 8.178927 2.806660 0.340000
H -4.737389 1.424643 -0.385234
H -4.985417 0.759177 1.242757
H -4.294783 -1.539391 0.414524
H -4.057528 -0.878757 -1.215578
H -6.524585 -0.129023 -1.291163
H -6.766316 -0.798847 0.335350
H -2.231283 0.618088 -0.390487
H -2.520056 0.107992 1.287439
H -7.221488 2.160915 -0.454199
H -7.457382 1.494642 1.175213
H -1.661818 -1.828314 -0.968237
H -9.235610 -0.069684 0.277754
H -9.000622 0.595656 -1.350381
H -9.969288 2.222729 1.114770
H -9.733506 2.892161 -0.523821
H -11.002723 1.667750 -0.233608
H 0.068429 -0.467693 1.253785
H -1.863969 -2.252311 1.868946
H 0.683012 -1.748695 -1.507913
H 7.588286 0.485593 1.450961
H 7.630317 1.701582 -1.412909
H 7.912372 -1.530445 -0.016208
H 8.423234 3.732604 -0.191331
H 8.303476 2.814064 1.429918


