%chk=000004578.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004578

0 1
 O   0.4145000     -0.1609000      2.4200000E-02
 N   -1.939400      -2.170400      3.3000000E-03
 N   -1.290600       1.449500      1.0400000E-02
 N   -4.075700      -1.534200     -1.5400000E-02
 N   -3.658000      0.8607000     -1.1000000E-02
 N   -2.958600       3.093300     -3.8999999E-03
 C   -1.919600     -0.8048000      4.1000000E-03
 C  -0.9210000      0.1491000      1.3200000E-02
 C    1.324600      0.9320000      3.2699998E-02
 C   -3.257400     -0.4336000     -7.6000001E-03
 C    2.727800      0.4011000      1.2100000E-02
 C   -3.252500      -2.560900     -8.5000005E-03
 C    3.382200      0.1388000       1.210600    
 C    3.361000      0.1758000      -1.205100    
 C   -2.617300       1.721300     -1.3000000E-03
 C    4.686600     -0.3551000       1.191700    
 C    4.665400     -0.3181000      -1.223900    
 C    5.328100     -0.5836000     -2.5500000E-02
 H    1.174200       1.545600      0.9308000    
 H    1.162200       1.573000     -0.8441000    
 H   -1.134800      -2.783200      1.0100000E-02
 H   -3.537600      -3.603300     -1.1600000E-02
 H    2.891200      0.3108000       2.164400    
 H    2.853500      0.3768000      -2.144500    
 H    5.202400     -0.5625000       2.124700    
 H    5.165000     -0.4967000      -2.171700    
 H    6.343600     -0.9685000     -4.0300000E-02
 H   -3.932600       3.362800     -1.2300000E-02
 H   -2.224200       3.787500      3.0000000E-03


%chk=000004578-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004578

0 1
O 0.393884 -0.099855 0.006767
N -1.876086 -2.193097 -0.011705
N -1.348335 1.528150 0.013965
N -4.090950 -1.597156 -0.011626
N -3.727129 0.861865 0.005342
N -3.074015 3.113739 0.021288
C -1.906110 -0.795403 -0.002241
C -0.948969 0.241902 0.006286
C 1.371894 1.043679 0.012838
C -3.293765 -0.432856 -0.002364
C 2.756019 0.446005 0.003369
C -3.206742 -2.612918 -0.016923
C 3.422344 0.155032 1.220690
C 3.409862 0.163730 -1.222772
C -2.718113 1.782601 0.013020
C 4.716168 -0.411501 1.214304
C 4.703607 -0.402880 -1.233599
C 5.359653 -0.691628 -0.013967
H 1.174806 1.651318 0.913709
H 1.168198 1.666352 -0.876174
H -1.040211 -2.775457 -0.014228
H -3.482420 -3.665529 -0.024530
H 2.923325 0.371829 2.173063
H 2.901167 0.387384 -2.168413
H 5.222381 -0.630531 2.160953
H 5.200105 -0.615125 -2.186916
H 6.365163 -1.127209 -0.020653
H -4.061414 3.353280 0.021389
H -2.351315 3.826577 0.027729


