%chk=000002258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002258

0 1
 O   -5.667700       1.554400       1.373300    
 O    2.048600      -4.587900       1.895100    
 O    3.008300       4.348500      -1.101500    
 O   -4.350300     -0.4895000      -1.921100    
 O    1.195900      -3.545200      -1.971500    
 O    4.977800       2.883200     -0.3122000    
 O   -5.815500       1.198300      -1.330800    
 O    1.037000      -5.343100     -0.5271000    
 O    4.643100      0.6300000     -0.7754000    
 N   -5.263900     -0.7095000      -3.031400    
 N    1.264200      -4.560000      -3.011400    
 N    6.391800       2.574100     -0.4558000    
 C  -0.2197000      0.4027000      0.7168000    
 C   -1.665300      0.7055000      0.8846000    
 C   0.3808000     -0.9224000       1.022700    
 C   0.5861000       1.378200      0.2657000    
 C   -2.519900      0.4858000     -0.1754000    
 C   0.4442000      -1.872000      2.4499999E-02
 C    2.009700       1.129200      8.6499996E-02
 C   -2.104500       1.196700       2.096000    
 C   0.8555000      -1.158300       2.295700    
 C   4.1299999E-02   2.689100     -4.5899998E-02
 C   -3.876200      0.7704000     -1.6500000E-02
 C    1.008100      -3.114900      0.3130000    
 C    2.828000       2.093400     -0.3629000    
 C   -3.461000       1.481200       2.254900    
 C    1.419500      -2.401100       2.584100    
 C   -4.346700       1.268100       1.198600    
 C    1.495800      -3.379400       1.592600    
 C   0.8289000       3.673700     -0.4960000    
 C    2.286900       3.446200     -0.6886000    
 C   -4.784500      0.5421000      -1.131800    
 C    1.077300      -4.123200     -0.7357000    
 C    4.246600       1.755600     -0.5130000    
 H   -2.130200      0.1110000      -1.118600    
 H   4.5400001E-02  -1.650300     -0.9622000    
 H    2.439700      0.1622000      0.3203000    
 H   -1.424000       1.367000       2.925400    
 H   0.8017000     -0.4040000       3.075700    
 H   -1.009000       2.929100      6.8400003E-02
 H   -3.813300       1.869000       3.207000    
 H    1.795300      -2.593200       3.585500    
 H   0.4327000       4.654700     -0.7314000    
 H   -5.803700       1.888400       2.276600    
 H    2.328400      -4.585100       2.826600    
 H   -4.619800     -0.6435000      -3.818100    
 H   -5.471700      -1.699300      -2.908200    
 H   0.5024000      -4.257700      -3.616700    
 H    2.129600      -4.291400      -3.477200    
 H    6.749200       2.917800      0.4343000    
 H    6.661600       3.258600      -1.160700    


%chk=000002258-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002258

0 1
O -5.739142 2.099710 1.637970
O 0.975105 -4.970982 0.708399
O 3.548562 4.437016 -0.942044
O -4.892093 -1.614207 -0.025866
O 2.805959 -2.387955 -2.085430
O 5.374837 2.371513 -0.741102
O -6.469275 0.089757 -0.244558
O 2.220278 -4.621696 -1.783419
O 4.782838 0.784761 0.850086
N -5.890612 -2.478409 -0.721903
N 3.595930 -2.866963 -3.253545
N 6.743290 1.787665 -0.618147
C -0.355794 0.589346 0.383908
C -1.745323 1.002437 0.691130
C -0.034907 -0.853013 0.464962
C 0.630562 1.544127 0.022550
C -2.852832 0.202565 0.299804
C 0.839624 -1.462878 -0.474775
C 2.046191 1.256609 0.157530
C -2.017528 2.198972 1.420343
C -0.606305 -1.685045 1.474424
C 0.280730 2.857218 -0.513251
C -4.188515 0.572826 0.582885
C 1.174730 -2.836328 -0.421361
C 3.041583 2.161392 -0.184328
C -3.332266 2.574139 1.732397
C -0.278256 -3.044350 1.557700
C -4.428220 1.774887 1.316135
C 0.615248 -3.633945 0.623743
C 1.247769 3.766415 -0.870887
C 2.693953 3.517582 -0.697110
C -5.313583 -0.262621 0.085977
C 2.075801 -3.422120 -1.450322
C 4.439501 1.708983 0.059836
H -2.685417 -0.714045 -0.272559
H 1.244900 -0.871532 -1.299772
H 2.360048 0.307143 0.604164
H -1.183967 2.813725 1.774216
H -1.287813 -1.250269 2.212419
H -0.774968 3.085789 -0.695093
H -3.515271 3.484164 2.317490
H -0.706263 -3.660668 2.358423
H 0.986008 4.734151 -1.312687
H -5.788598 2.957839 2.130629
H 0.522408 -5.416663 1.469283
H -6.026051 -3.253675 -0.050183
H -6.752205 -1.894286 -0.802684
H 4.517066 -2.425371 -3.092576
H 3.637783 -3.904592 -3.156703
H 6.746221 1.249177 0.273881
H 7.332781 2.634903 -0.573178


