%chk=000048401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048401

0 1
 O  -2.7700000E-02 -0.5945000       2.194700    
 O    1.020800      -1.871800      -2.200600    
 O   -1.154000      -4.757600      0.6274000    
 N  -0.6772000      -2.637500       1.378200    
 N  -0.1529000      -3.275800     -0.8173000    
 C   -3.008900       1.516100     -0.3390000    
 C   -1.711400      0.8888000      0.1672000    
 C   -3.396700       2.727200      0.5200000    
 C   -4.139400      0.4785000     -0.3625000    
 C   2.9800000E-02 -0.9058000     -0.2094000    
 C   -1.291400     -0.2901000     -0.7037000    
 C   -4.719800       3.339900      6.6299997E-02
 C   -5.461100       1.094900     -0.8150000    
 C   -5.838800       2.303600      3.5700001E-02
 C    1.134600      0.1597000     -0.2554000    
 C  -0.1946000      -1.345400       1.233900    
 C   0.3779000      -2.042600      -1.165200    
 C    2.482700     -0.4446000      0.1121000    
 C    3.573100      0.5950000      6.4700000E-02
 C  -0.7086000      -3.630300      0.4062000    
 C    4.265800      0.8027000      -1.119000    
 C    3.867000       1.327400       1.205400    
 C    5.274800       1.764700      -1.163000    
 C    4.876200       2.289300       1.161200    
 C    5.580100       2.508100     -2.2900000E-02
 H   -2.846100       1.869600      -1.366800    
 H  -0.9528000       1.676600      0.1655000    
 H   -1.871100      0.5853000       1.206100    
 H   -2.610500       3.490000      0.4694000    
 H   -3.481700       2.427800       1.572500    
 H   -4.266100      3.3700000E-02  0.6326000    
 H   -3.921700     -0.3368000      -1.058600    
 H   -2.055800      -1.074200     -0.6906000    
 H   -1.194200      3.2800000E-02  -1.748700    
 H   -4.596600       3.774100     -0.9336000    
 H   -4.995500       4.160100      0.7386000    
 H   -5.381500       1.399300      -1.866000    
 H   -6.256800      0.3432000     -0.7598000    
 H   -6.753900       2.760200     -0.3577000    
 H   -6.059500       1.974900       1.058700    
 H    1.191100      0.6085000      -1.256600    
 H   0.9432000      0.9830000      0.4419000    
 H    2.459000     -0.8825000       1.117800    
 H    2.769700      -1.267200     -0.5519000    
 H  -0.9657000      -2.912700       2.312900    
 H  -5.4900002E-02  -4.021500      -1.500700    
 H    4.034000      0.2305000      -2.012800    
 H    3.323100       1.166200       2.131700    
 H    5.822400       1.935500      -2.085200    
 H    5.113400       2.868700       2.048800    
 H    6.365500       3.257300     -5.7300001E-02


%chk=000048401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048401

0 1
O 0.028507 -0.783939 2.334344
O 0.812629 -1.884198 -2.293329
O -0.916506 -5.015949 0.674390
N -0.536313 -2.842198 1.450687
N -0.100347 -3.397186 -0.803441
C -3.101049 1.497064 -0.280074
C -1.864574 0.775037 0.321448
C -3.497975 2.692601 0.625259
C -4.317250 0.553417 -0.481924
C 0.071981 -0.987477 -0.121949
C -1.313638 -0.345932 -0.584140
C -4.735790 3.451446 0.091793
C -5.558486 1.310369 -1.016048
C -5.937586 2.496461 -0.099864
C 1.212200 0.065382 -0.179518
C -0.112004 -1.503213 1.312328
C 0.326364 -2.100096 -1.153935
C 2.615419 -0.496891 0.178279
C 3.682103 0.583609 0.068641
C -0.553587 -3.834409 0.454316
C 4.348735 0.818097 -1.161683
C 3.997946 1.407477 1.179768
C 5.309674 1.847646 -1.279512
C 4.957807 2.438760 1.066123
C 5.617278 2.662494 -0.164980
H -2.817482 1.904804 -1.276835
H -1.076832 1.531542 0.500239
H -2.135172 0.368637 1.315576
H -2.639299 3.386288 0.724305
H -3.717252 2.309606 1.644687
H -4.567218 0.082680 0.493448
H -4.061613 -0.268846 -1.178867
H -2.063480 -1.156239 -0.673057
H -1.136868 0.047493 -1.604363
H -4.486092 3.922000 -0.882000
H -5.003794 4.272993 0.784197
H -5.339583 1.694245 -2.034350
H -6.412326 0.612213 -1.115079
H -6.801795 3.045280 -0.521723
H -6.255581 2.106660 0.889604
H 1.238273 0.482949 -1.202118
H 0.971962 0.882800 0.521015
H 2.592048 -0.897112 1.209845
H 2.859521 -1.331677 -0.505972
H -0.772881 -3.159890 2.396581
H -0.036943 -4.120179 -1.527766
H 4.114787 0.186722 -2.028180
H 3.492024 1.235390 2.138231
H 5.819576 2.012279 -2.235689
H 5.193807 3.063584 1.935230
H 6.363974 3.459708 -0.253738


