%chk=000004485.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004485

0 1
 O    3.019300      0.8174000      -1.704500    
 O   -2.544000      -1.395200      0.4057000    
 O    2.806500       1.952000      0.3022000    
 O   -1.951100      -2.077700      -1.725400    
 O   -2.976700       1.892600      -1.696600    
 O   -1.411400      0.3833000      -1.998100    
 N    1.688200      -2.391200      0.8547000    
 N   -1.974100       1.255800      -1.295400    
 C   0.3486000     -0.1935000     -0.3253000    
 C    1.849700     -0.1939000     -9.9999998E-03
 C  -0.3114000      -1.556600     -9.5299996E-02
 C  -0.3461000      0.8569000      0.4934000    
 C    2.441900      -1.262700      0.5701000    
 C   0.3613000      -2.568400      0.4978000    
 C   -1.457400       1.533000      3.0000001E-04
 C   0.1482000       1.141200       1.762600    
 C    2.609800      0.9962000     -0.4254000    
 C   -1.687200      -1.715400     -0.5938000    
 C    3.892700      -1.354800      0.9592000    
 C  -0.2068000      -3.924500      0.8180000    
 C   -2.080900       2.503600      0.7843000    
 C  -0.4754000       2.111900       2.546600    
 C   -1.589900       2.793100       2.057600    
 C    3.778400       1.898600      -2.255500    
 C   -3.932000      -1.501700      7.2700001E-02
 H   0.4255000      1.0300000E-02  -1.393400    
 H    2.162300      -3.171200       1.296200    
 H   0.9882000      0.6165000       2.206200    
 H    4.376800      -2.176500      0.4207000    
 H    3.984500      -1.544300       2.034000    
 H    4.451400     -0.4408000      0.7387000    
 H  -0.1423000      -4.116200       1.894500    
 H   0.3570000      -4.703800      0.2941000    
 H   -1.256800      -4.026700      0.5292000    
 H   -2.951600       3.055700      0.4399000    
 H  -9.8700002E-02   2.331700       3.541200    
 H   -2.076400       3.547300       2.669300    
 H    3.178000       2.813200      -2.271700    
 H    4.046900       1.636700      -3.282300    
 H    4.696600       2.048600      -1.679500    
 H   -4.195800      -2.550400     -9.3199998E-02
 H   -4.166700     -0.9013000     -0.8113000    
 H   -4.513300      -1.121700      0.9171000    


%chk=000004485-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004485

0 1
O 1.894665 1.458999 -1.467936
O -2.171997 -1.082314 -1.027542
O 3.973671 0.695923 -0.746518
O -2.308587 -3.113537 0.100800
O -3.000795 1.971996 -1.466730
O -0.968237 1.367016 -2.277779
N 1.767865 -2.400156 1.312374
N -1.755107 1.649416 -1.301895
C 0.370331 -0.422753 -0.247206
C 1.902281 -0.451701 -0.079811
C -0.262687 -1.756834 0.207520
C -0.246787 0.747349 0.562210
C 2.533903 -1.390002 0.717444
C 0.424071 -2.650961 1.012680
C -1.238680 1.653076 0.093760
C 0.134875 0.891090 1.921697
C 2.714399 0.573996 -0.759675
C -1.639609 -2.084545 -0.202546
C 4.016455 -1.472281 1.009878
C -0.117845 -3.937242 1.597479
C -1.818140 2.639400 0.928080
C -0.412805 1.880253 2.762768
C -1.398456 2.763299 2.264334
C 2.585922 2.513457 -2.236035
C -3.539308 -1.320157 -1.542191
H 0.134362 -0.252383 -1.308460
H 2.253906 -3.076116 1.902617
H 0.889271 0.205141 2.320939
H 4.584098 -1.728792 0.098956
H 4.223266 -2.234149 1.784960
H 4.414310 -0.499399 1.338040
H 0.627897 -4.411520 2.262990
H -0.391195 -4.649504 0.800739
H -1.047206 -3.758952 2.161287
H -2.591064 3.291226 0.512325
H -0.077233 1.959787 3.802545
H -1.835184 3.534851 2.906289
H 3.122304 3.195926 -1.554511
H 1.780674 3.035243 -2.771572
H 3.309048 2.066318 -2.939133
H -4.224664 -1.557203 -0.711634
H -3.529854 -2.159306 -2.258193
H -3.816331 -0.376859 -2.033743


