%chk=000022176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022176

0 1
 O    4.447800       1.446700       1.039500    
 O    3.122300       2.064500      -1.320200    
 O   -2.755900       2.563700      5.5500001E-02
 O   -4.972900       1.089600      0.8529000    
 N   0.2085000      -3.149300     -0.3379000    
 C    2.105400      -1.353700      0.8160000    
 C    1.426600      -1.026700     -0.3647000    
 C    1.686300      -2.579200       1.572100    
 C   0.3377000      -1.944400     -0.7866000    
 C    1.232400      -3.647900      0.5865000    
 C  -0.6814000      -1.452600      -1.785800    
 C    3.113300     -0.5088000       1.289100    
 C    1.767300      0.1213000      -1.082700    
 C   -1.817900     -0.7758000      -1.086700    
 C    3.455200      0.6383000      0.5728000    
 C    2.786000      0.9503000     -0.6110000    
 C   -1.760800      0.5930000     -0.8379000    
 C   -2.926600      -1.517800     -0.6878000    
 C   -2.820000       1.224400     -0.1857000    
 C   -3.985600     -0.8864000     -3.5700001E-02
 C   -3.932400      0.4846000      0.2154000    
 C    5.774900       1.162000      0.6017000    
 C    2.431700       3.269800     -0.9984000    
 C   -2.169800       2.972500       1.289800    
 C   -6.071900      0.2621000       1.229800    
 H    2.514300      -2.969100       2.174600    
 H   0.8679000      -2.311300       2.251100    
 H    2.080600      -4.031200      5.5000000E-03
 H   0.8178000      -4.495800       1.142800    
 H   -1.059100      -2.321100      -2.343500    
 H  -0.2526000     -0.8102000      -2.557500    
 H    3.633000     -0.7446000       2.214400    
 H    1.282800      0.3938000      -2.012800    
 H  -0.9068000       1.183200      -1.156200    
 H   -2.978600      -2.586800     -0.8766000    
 H   -4.816200      -1.523800      0.2473000    
 H    5.847400       1.242700     -0.4875000    
 H    6.079100      0.1615000      0.9256000    
 H    6.449000       1.895500       1.052100    
 H    2.615500       3.553000      4.2800002E-02
 H    1.356900       3.154400      -1.172000    
 H    2.807800       4.064500      -1.648500    
 H   -2.202500       4.064200       1.339700    
 H   -1.124600       2.650800       1.342200    
 H   -2.731200       2.566000       2.137000    
 H   -6.806200      0.9070000       1.723700    
 H   -5.773200     -0.4972000       1.960600    
 H   -6.568100     -0.1728000      0.3555000    


%chk=000022176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022176

0 1
O 4.417448 1.023550 1.501247
O 2.812066 2.121968 -0.693136
O -3.275547 2.539817 -1.280900
O -4.671419 1.431496 0.946512
N 0.410356 -3.543058 -0.887366
C 2.203269 -1.856645 0.689278
C 1.434096 -1.341018 -0.399319
C 1.890217 -3.265422 1.163336
C 0.419848 -2.233814 -1.037895
C 1.478957 -4.144873 -0.038379
C -0.676860 -1.636903 -1.916300
C 3.188822 -1.051024 1.291110
C 1.657396 -0.009592 -0.829802
C -1.706141 -0.826086 -1.127346
C 3.429713 0.265728 0.838176
C 2.632188 0.799083 -0.215983
C -2.023482 0.505623 -1.483687
C -2.381616 -1.403253 -0.026226
C -2.990458 1.255596 -0.780512
C -3.356005 -0.672996 0.687802
C -3.680130 0.653580 0.316267
C 5.514193 1.530179 0.640200
C 2.410782 3.168172 0.276877
C -3.272772 3.666578 -0.326790
C -5.449040 0.795055 2.011771
H 2.750186 -3.710784 1.695803
H 1.045803 -3.227638 1.883985
H 2.359111 -4.333085 -0.690661
H 1.115167 -5.129344 0.304390
H -1.167662 -2.492178 -2.414535
H -0.235122 -1.004821 -2.709757
H 3.800437 -1.430515 2.116733
H 1.073615 0.433864 -1.641123
H -1.530741 0.998399 -2.329740
H -2.150217 -2.432930 0.268271
H -3.873889 -1.151107 1.525058
H 5.116207 2.125500 -0.200082
H 6.107383 0.680966 0.251683
H 6.137588 2.152259 1.300042
H 2.984048 3.075609 1.217726
H 1.327194 3.092933 0.488844
H 2.631426 4.127329 -0.215893
H -3.460214 4.558891 -0.943752
H -2.283676 3.752682 0.165639
H -4.061494 3.545503 0.433307
H -6.176989 1.556529 2.328804
H -4.807481 0.512478 2.869268
H -5.983358 -0.099382 1.637352


