%chk=000003978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003978

0 1
 O    2.934500       1.675600      -1.594100    
 O    2.924300       2.941200      0.7831000    
 O   -3.511800       1.809100      0.3648000    
 O   -4.333100     -0.4522000      0.4875000    
 N    1.363500      -2.215800     -0.5041000    
 C    1.926100     -0.8493000     -0.5861000    
 C    1.019900      0.2862000      -1.144000    
 C    2.434600     -0.5626000      0.8000000    
 C    1.700700       1.649500     -0.8614000    
 C    1.484400      -2.657100      0.8995000    
 C    2.653900      -1.869400       1.479600    
 C  -0.4160000      0.1153000     -0.6736000    
 C   2.7999999E-03  -2.341200      -1.028100    
 C    1.988200       1.877100      0.6368000    
 C  -0.9140000      -1.215800     -0.6106000    
 C    2.469900      0.6519000       1.361400    
 C   -1.268100       1.183900     -0.3643000    
 C   -2.236300      -1.473900     -0.2252000    
 C   -2.562300      0.8947000      2.3000000E-02
 C   -3.032000     -0.3951000      9.2799999E-02
 C   -4.629200      0.9480000      0.6630000    
 H    2.807900     -0.9258000      -1.237800    
 H   0.9828000      0.1576000      -2.236700    
 H    1.112000       2.487400      -1.250700    
 H    1.662700      -3.735800      0.9564000    
 H   0.5769000      -2.433200       1.476400    
 H    3.614800      -2.301000       1.179500    
 H    2.603700      -1.810300       2.570400    
 H  -0.4164000      -3.314100     -0.7417000    
 H   4.5699999E-02  -2.348300      -2.124900    
 H    1.066300       2.194900       1.137800    
 H    2.768300      0.7599000       2.400200    
 H  -0.9439000       2.216100     -0.4222000    
 H   -2.624900      -2.485500     -0.1829000    
 H    2.716300       1.590400      -2.537900    
 H    2.556600       3.718900      0.3297000    
 H   -5.463800       1.215400      4.6999999E-03
 H   -4.933600       1.115000       1.702700    


%chk=000003978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003978

0 1
O 3.005891 1.707486 -1.552183
O 2.854171 3.111677 0.686920
O -3.601576 1.746889 0.444665
O -4.424066 -0.506886 0.419909
N 1.379117 -2.197624 -0.482153
C 1.968533 -0.811576 -0.567151
C 1.024266 0.275532 -1.184305
C 2.351726 -0.479908 0.869222
C 1.659178 1.664981 -0.924784
C 1.384605 -2.637398 0.951637
C 2.522931 -1.800447 1.594569
C -0.418739 0.093620 -0.717057
C 0.070083 -2.331029 -1.172665
C 1.911560 1.985896 0.574815
C -0.915243 -1.244423 -0.744772
C 2.346594 0.774518 1.377972
C -1.265273 1.167224 -0.319883
C -2.249899 -1.543218 -0.359562
C -2.573096 0.848882 0.051433
C -3.057044 -0.474058 0.034990
C -4.721099 0.873900 0.886692
H 2.881156 -0.836261 -1.195565
H 1.031479 0.121630 -2.287657
H 1.036975 2.472492 -1.361887
H 1.566147 -3.725847 1.015278
H 0.422341 -2.411388 1.466996
H 3.503164 -2.258237 1.357598
H 2.429348 -1.717869 2.689853
H -0.336078 -3.337746 -0.969428
H 0.250125 -2.276170 -2.266338
H 0.979875 2.384277 1.017791
H 2.588629 0.964218 2.431399
H -0.927057 2.205974 -0.301769
H -2.631447 -2.568312 -0.375594
H 2.912201 1.859361 -2.523961
H 3.591777 2.904129 0.050933
H -5.653331 1.219276 0.414497
H -4.766523 0.878138 1.992544


