%chk=000057668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057668

0 1
 O   0.1078000       1.919500     -0.2319000    
 O    1.846700      -3.990700      0.1127000    
 O   -1.769000       2.640400      0.8464000    
 N    2.921100       2.336500     -0.1166000    
 N   -1.613500      0.3992000      0.1752000    
 C    2.011300       3.247800     -0.8098000    
 C    4.037900       1.969400     -0.9865000    
 C    3.413800       2.947100       1.117600    
 C   0.6386000       3.236100     -0.1562000    
 C    3.544100       1.332900      -2.274700    
 C    4.312900       1.990600       1.882400    
 C  -0.7217000     -0.7307000      0.1585000    
 C   -1.141400       1.723900      0.3168000    
 C   -3.032200      0.1725000      4.3400001E-02
 C   -1.058800      -1.874200     -0.5659000    
 C   0.4786000     -0.6827000      0.8674000    
 C   -3.595500      -1.014100      0.5132000    
 C   -3.841000       1.140000     -0.5530000    
 C    1.004800      -2.921700      0.1274000    
 C  -0.1955000      -2.969600     -0.5815000    
 C    1.342000      -1.778300      0.8519000    
 C   -4.967200      -1.233300      0.3863000    
 C   -5.212700      0.9209000     -0.6798000    
 C   -5.775700     -0.2659000     -0.2101000    
 C    3.241400      -3.721100      0.2468000    
 C    4.023200      -4.794400     -0.4801000    
 H    1.822300       2.950100      -1.843800    
 H    2.410900       4.269100     -0.8469000    
 H    4.664600       1.212100     -0.5044000    
 H    4.677100       2.829600      -1.221600    
 H    3.956900       3.880900      0.9233000    
 H    2.578300       3.192900       1.781300    
 H  -2.1500001E-02   3.916200     -0.7085000    
 H   0.6716000       3.571300      0.8855000    
 H    2.734700      0.6160000      -2.097000    
 H    3.220800       2.069700      -3.016100    
 H    4.366200      0.7776000      -2.741700    
 H    3.858700      0.9985000       1.981200    
 H    5.301100       1.886300       1.424000    
 H    4.478400       2.375200       2.895200    
 H   -1.942500      -1.935100      -1.194500    
 H   0.7532000      0.1761000       1.473700    
 H   -3.024900      -1.764900       1.052100    
 H   -3.433600       2.061300     -0.9594000    
 H  -0.4550000      -3.851600      -1.160600    
 H    2.250000      -1.713000       1.444100    
 H   -5.408800      -2.149700      0.7669000    
 H   -5.841700       1.671000      -1.150100    
 H   -6.844100     -0.4355000     -0.3068000    
 H    3.507900      -3.723900       1.309400    
 H    3.515300      -2.756200     -0.1982000    
 H    5.099700      -4.624600     -0.3887000    
 H    3.757200      -4.813100      -1.542200    
 H    3.786700      -5.784200     -7.5800002E-02


%chk=000057668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057668

0 1
O 0.645683 1.476126 -1.585545
O 1.385860 -4.460157 -1.945212
O -0.815667 2.812602 -0.328129
N 2.589920 2.848627 0.320930
N -0.979122 0.445946 -0.327721
C 2.750940 2.720565 -1.145131
C 3.832502 2.455857 1.043292
C 2.090013 4.189919 0.741290
C 1.431311 2.682530 -1.931938
C 4.021845 0.930979 1.155250
C 1.393486 4.163186 2.114073
C -0.335651 -0.795243 -0.733918
C -0.418413 1.676198 -0.693852
C -2.176994 0.360680 0.480624
C -0.979489 -1.648165 -1.662646
C 0.907930 -1.169463 -0.186426
C -2.394254 -0.810036 1.256091
C -3.152586 1.393684 0.496250
C 0.875424 -3.233447 -1.496354
C -0.381218 -2.862477 -2.040840
C 1.524527 -2.381825 -0.565572
C -3.566032 -0.944730 2.029624
C -4.318444 1.245671 1.277474
C -4.538462 0.080614 2.047048
C 2.697169 -4.893858 -1.423095
C 3.011378 -6.235948 -2.078362
H 3.295398 1.782019 -1.352645
H 3.367100 3.553998 -1.580598
H 3.774455 2.875019 2.063434
H 4.736406 2.914705 0.565842
H 2.918244 4.944295 0.738988
H 1.345366 4.524771 -0.000711
H 1.645026 2.582117 -3.009785
H 0.806107 3.575086 -1.757820
H 3.185400 0.488885 1.724725
H 4.059126 0.442453 0.164343
H 4.966867 0.698292 1.681327
H 0.519104 3.492847 2.069832
H 2.064954 3.816198 2.920846
H 1.043564 5.177441 2.383208
H -1.946805 -1.354841 -2.083131
H 1.402108 -0.498135 0.522452
H -1.649409 -1.610864 1.253045
H -2.989063 2.307072 -0.076774
H -0.861099 -3.534208 -2.758793
H 2.493124 -2.647401 -0.132538
H -3.713700 -1.854527 2.622408
H -5.061158 2.051565 1.279357
H -5.447330 -0.025387 2.649045
H 2.641839 -4.987888 -0.318787
H 3.463937 -4.132362 -1.675258
H 3.988165 -6.612515 -1.723888
H 3.052861 -6.132827 -3.176010
H 2.237254 -6.981442 -1.829019


