%chk=000004209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004209

0 1
 O   -1.997100       1.867900      -1.706700    
 O   -1.188400      -1.768300      0.4364000    
 O    1.436000       2.358400       1.854000    
 O    1.957300      -1.207300      -2.100300    
 O    4.228100     -0.5046000     -0.8001000    
 O   -1.744600      -3.997200      0.2854000    
 N   -3.880800       1.500100      0.5024000    
 N  -0.8772000       1.431400      0.3572000    
 N   -1.486800      -2.972900       2.327800    
 C   -2.987500      0.4691000     -2.9600000E-02
 C   -1.722200      0.8690000     -0.7240000    
 C   -2.901400      0.9063000       1.395900    
 C   -1.584700       1.588000       1.624600    
 C  -0.8076000     -0.2337000      -1.354300    
 C   0.4304000       1.039600      0.1854000    
 C   0.5484000      0.1379000     -0.7882000    
 C   -1.165300      -1.669200     -0.9753000    
 C    1.572600       1.522400      0.9673000    
 C    1.848000     -0.4077000      -1.177500    
 C   -2.660600       1.314600      -2.832100    
 C    2.915200      0.9467000      0.6126000    
 C    3.033200      5.5500001E-02 -0.3951000    
 C    4.042900       1.454500       1.469700    
 C   -1.495200      -3.000500      0.9551000    
 C    4.487500      -1.699900     -9.0400003E-02
 H   -3.465500     -0.4504000     -0.3198000    
 H   -3.256100      0.2709000       2.191300    
 H   -4.802400       1.102000      0.6798000    
 H   -1.715200       2.647700       1.865900    
 H   -1.047900       1.097000       2.443600    
 H  -0.7358000     -0.1713000      -2.443000    
 H  -0.4222000      -2.368200      -1.378100    
 H   -2.143100      -1.938300      -1.391100    
 H   -3.288000      0.4482000      -2.601400    
 H   -1.938700       1.064100      -3.614600    
 H   -3.310000       2.093000      -3.245100    
 H    5.010100       1.046800       1.160000    
 H    3.883500       1.174700       2.516100    
 H    4.113700       2.545400       1.404000    
 H    5.439900      -2.105800     -0.4445000    
 H    3.712800      -2.452300     -0.2749000    
 H    4.580400      -1.516600      0.9857000    
 H   -1.275400      -2.121300       2.836900    
 H   -1.693100      -3.802000       2.874600    


%chk=000004209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004209

0 1
O -1.722421 1.623037 -1.809424
O -0.916141 -2.189859 0.605334
O 1.213042 2.265811 2.197839
O 2.237620 -1.604761 -1.618403
O 4.428688 -0.394602 -0.094703
O -3.164838 -2.927530 0.641930
N -3.884512 1.426057 0.118800
N -0.857225 1.297292 0.354137
N -1.800512 -2.941706 2.550904
C -2.940596 0.238151 -0.072267
C -1.605882 0.611883 -0.743018
C -3.005292 0.958302 1.266033
C -1.728980 1.798763 1.442611
C -0.620251 -0.525255 -1.225443
C 0.454438 0.908242 0.350477
C 0.698270 -0.074090 -0.604368
C -0.961045 -1.985121 -0.867189
C 1.512597 1.428091 1.275310
C 1.998984 -0.629709 -0.807597
C -2.712991 1.297193 -2.840651
C 2.871141 0.923331 1.049638
C 3.108794 -0.016551 0.046982
C 3.992669 1.455206 1.911472
C -2.065326 -2.714855 1.219593
C 4.920699 -1.326949 -1.138040
H -3.354929 -0.765845 -0.192882
H -3.462897 0.484907 2.140023
H -4.857943 1.081112 0.240982
H -1.942506 2.873332 1.309722
H -1.235488 1.651425 2.415800
H -0.573802 -0.484836 -2.330384
H -0.178968 -2.639856 -1.285782
H -1.955684 -2.290448 -1.238668
H -3.736576 1.313620 -2.424208
H -2.514177 0.313320 -3.317070
H -2.611145 2.089342 -3.598362
H 4.531509 0.634281 2.418434
H 3.584671 2.145143 2.667014
H 4.741467 1.993070 1.301081
H 6.013936 -1.295856 -1.009540
H 4.626519 -0.985668 -2.142975
H 4.522246 -2.339535 -0.975455
H -0.868922 -2.773766 2.924280
H -2.531040 -3.340415 3.133631


