%chk=000025603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025603

0 1
 O    1.249700      0.2879000      2.2399999E-02
 O   6.6200003E-02   2.267800     -1.0200000E-02
 O   -3.295500     -0.3470000      -2.327200    
 O   -4.795600       2.154400      8.5000005E-03
 O   -4.271400     -0.3852000       2.248400    
 O   -3.247400      -1.971500       1.132400    
 O   -6.046800      0.3524000     -1.8400000E-02
 O   -4.357800      -1.893300      -1.193900    
 O    3.616100     -0.2675000      -2.330200    
 O    2.854500     -0.6259000       2.131600    
 O    5.024500       1.973000      0.5100000    
 O    3.599400      -2.042400      -1.040400    
 O    4.667600      -1.601900       1.377200    
 O    5.968300      0.3148000     -0.5731000    
 N   -3.805200     -0.7886000      -1.286500    
 N   -4.948000      0.9236000     -1.6500000E-02
 N   -3.720100     -0.8296000       1.231600    
 N    3.603900     -0.8155000      -1.218700    
 N    3.746400     -0.7793000       1.283500    
 N    5.002100      0.8471000     -1.0200000E-02
 C   -2.409400      0.9102000      1.6500000E-02
 C   -3.688800      5.0799999E-02 -1.6300000E-02
 C   -1.088200      0.1253000      4.1400000E-02
 C    3.684000      7.4299999E-02  2.0300001E-02
 C    2.478900       1.020800      6.3000000E-03
 C   0.1128000       1.045600      1.1600000E-02
 H   -2.426100       1.559900      0.9039000    
 H   -2.391500       1.592700     -0.8452000    
 H   -1.017500     -0.4692000      0.9581000    
 H   -1.022100     -0.5399000     -0.8254000    
 H    2.497700       1.658000     -0.8882000    
 H    2.494700       1.682500      0.8829000    


%chk=000025603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025603

0 1
O 1.304414 0.362798 -0.721472
O 0.176901 2.131200 0.316943
O -3.528947 0.622070 -2.235275
O -4.609178 1.505100 1.697273
O -4.817140 -1.550846 1.517045
O -2.742886 -2.142294 0.759202
O -5.837696 0.974217 -0.159815
O -4.423266 -1.419065 -1.709140
O 3.724667 -1.237499 -1.893257
O 2.208051 0.194151 2.014642
O 5.126904 2.011862 -0.069539
O 3.303664 -2.250881 0.119065
O 4.419821 -0.340567 2.256440
O 5.986509 -0.091621 -0.374976
N -3.876112 -0.304608 -1.424168
N -4.803427 0.919280 0.580375
N -3.740798 -1.348911 0.866951
N 3.537910 -1.252237 -0.631254
N 3.393350 -0.002092 1.581263
N 5.045112 0.735306 -0.166601
C -2.276092 0.730636 0.313115
C -3.599042 0.008946 0.089418
C -1.026029 0.050984 -0.286225
C 3.596319 0.174974 0.034107
C 2.568121 1.106080 -0.612969
C 0.160493 0.985898 -0.166496
H -2.155008 0.882167 1.399983
H -2.383708 1.737790 -0.128920
H -0.782978 -0.896829 0.222180
H -1.158434 -0.193282 -1.356453
H 2.907425 1.357691 -1.630961
H 2.436479 2.023881 -0.014279


