%chk=000005417.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005417

0 1
 O    4.594100      -1.387500      0.3725000    
 O   -4.703500       2.077200      0.5027000    
 O   -5.976700     -0.2287000     -0.3788000    
 O    6.018400      0.9178000     -0.1221000    
 N   0.3548000      -1.399100     -0.1322000    
 C  -0.3256000     -0.1941000      0.4028000    
 C   0.3496000       1.040600     -0.2440000    
 C  -0.3667000      -2.624800      0.2207000    
 C   -1.836100     -0.1952000      0.1763000    
 C    1.743900      -1.464200      0.3533000    
 C   -1.720200      -2.633000     -0.4852000    
 C   -2.497700      -1.371200     -0.2259000    
 C    1.857400      0.9995000     -0.1935000    
 C    2.526200     -0.2081000      5.9999999E-02
 C   -2.606100      0.9509000      0.4368000    
 C    3.927000     -0.2294000      9.4400004E-02
 C   -3.886400      -1.365100     -0.4243000    
 C    2.598900       2.161100     -0.4480000    
 C   -3.989500      0.9445000      0.2499000    
 C   -4.628600     -0.2107000     -0.1876000    
 C    4.656400      0.9339000     -0.1497000    
 C    3.992800       2.127500     -0.4239000    
 C    4.883500      -1.652500       1.742400    
 C   -5.201400       2.246800       1.828200    
 C   -6.452700      0.1275000      -1.675400    
 C    6.688100      0.6363000      -1.349400    
 H  -0.1802000     -0.1578000       1.493300    
 H   2.0199999E-02   1.952400      0.2685000    
 H   4.8599999E-02   1.126400      -1.297200    
 H  -0.4973000      -2.705900       1.308200    
 H   0.1927000      -3.509400     -0.1078000    
 H    2.237300      -2.308700     -0.1434000    
 H    1.763400      -1.643100       1.436000    
 H   -2.291400      -3.502300     -0.1379000    
 H   -1.578500      -2.737400      -1.568400    
 H   -2.132800       1.861400      0.7955000    
 H   -4.390100      -2.269800     -0.7577000    
 H    2.092800       3.098500     -0.6644000    
 H    4.554500       3.037300     -0.6179000    
 H    5.326800      -2.649600       1.811300    
 H    3.975200      -1.632300       2.352000    
 H    5.604800     -0.9241000       2.126100    
 H   -4.375500       2.292600       2.545100    
 H   -5.882900       1.431600       2.091400    
 H   -5.752700       3.190100       1.869000    
 H   -6.070800     -0.5690000      -2.428500    
 H   -6.158000       1.151500      -1.926200    
 H   -7.544600      6.9899999E-02  -1.667300    
 H    6.452700       1.399200      -2.098200    
 H    6.410100     -0.3546000      -1.722100    
 H    7.765300      0.6500000      -1.162800    


%chk=000005417-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005417

0 1
O 4.587629 -1.371856 0.493742
O -4.711329 2.085700 0.629281
O -6.061691 -0.318751 -0.373867
O 6.087928 1.056835 -0.083443
N 0.370977 -1.426946 -0.135673
C -0.309031 -0.185055 0.315038
C 0.319997 0.990382 -0.477373
C -0.362414 -2.667499 0.187573
C -1.828031 -0.246937 0.134216
C 1.777426 -1.474134 0.312802
C -1.689167 -2.688548 -0.587822
C -2.488470 -1.424692 -0.310253
C 1.836456 0.998608 -0.360968
C 2.525718 -0.185526 0.008725
C -2.603708 0.895206 0.452661
C 3.938151 -0.164204 0.127518
C -3.894296 -1.408707 -0.478557
C 2.574759 2.183707 -0.603516
C -4.002901 0.900877 0.306205
C -4.657014 -0.258575 -0.201752
C 4.673066 1.014176 -0.173407
C 3.981979 2.193406 -0.521836
C 5.354922 -1.305305 1.759618
C -5.655840 1.940353 1.760904
C -6.595755 0.629280 -1.379478
C 6.785659 0.208330 -1.076952
H -0.104172 -0.009178 1.407204
H -0.085451 1.956261 -0.122661
H 0.017320 0.878078 -1.536516
H -0.560520 -2.767047 1.286311
H 0.268121 -3.525303 -0.111651
H 2.283574 -2.319459 -0.186676
H 1.851734 -1.677464 1.415918
H -2.281340 -3.582077 -0.312441
H -1.459440 -2.764187 -1.668608
H -2.135238 1.807055 0.839350
H -4.422254 -2.300404 -0.835222
H 2.041103 3.103912 -0.869145
H 4.564679 3.097299 -0.725567
H 5.806331 -2.302061 1.880742
H 4.675778 -1.093515 2.607443
H 6.136678 -0.526983 1.704503
H -5.103232 1.696998 2.688570
H -6.403231 1.152983 1.553964
H -6.145559 2.920983 1.863056
H -6.202263 0.378944 -2.383170
H -6.328870 1.670266 -1.122331
H -7.687914 0.492921 -1.360518
H 6.565635 0.562633 -2.102096
H 6.483968 -0.850049 -0.974807
H 7.859043 0.326166 -0.862435


