%chk=000168809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168809

0 1
 O   -8.007500      -1.078900      0.4190000    
 O   -3.480300     -0.4391000       2.541200    
 O   -6.392000      -1.962900     -0.9073000    
 O    6.983200      -1.027600     -0.1831000    
 O   -6.089200       3.681100      -2.078100    
 O    3.576700      -3.676100     -0.5731000    
 O   -6.428600       3.943700      0.1497000    
 N    1.757100      -2.194700     -0.7468000    
 N    3.312100       1.910500     -0.3538000    
 N   -4.424500     -0.7236000      0.4426000    
 N    4.372700     -0.6081000     -0.8760000    
 N    5.453000       2.559100      0.5580000    
 N    7.293800       1.089700      0.6454000    
 N    7.440700       3.295300       1.449500    
 C    3.136400     -0.3632000      -1.193500    
 C    2.331900      -1.467900      -1.830600    
 C   -5.771800     -0.3549000      0.8135000    
 C    2.427800      0.9597000     -0.9752000    
 C   -6.030300       1.151200      0.6851000    
 C    4.619900       1.634800     -2.7600000E-02
 C   0.4474000      -1.821500     -0.2113000    
 C    5.101200      0.4025000     -0.2960000    
 C   -5.906100       1.732300     -0.7293000    
 C   -2.050200      -1.112300      0.8092000    
 C   -3.351800     -0.7422000       1.341700    
 C  -0.5079000      -1.241400      -1.046000    
 C   0.1538000      -2.047100       1.133600    
 C   -1.756700     -0.8869000     -0.5357000    
 C   -1.095000      -1.692500       1.643800    
 C   -6.721500      -1.209800     -9.9999997E-05
 C    6.534700      9.0899996E-02  5.8100000E-02
 C    2.474500      -3.281000     -0.1996000    
 C    6.754700       2.258000      0.8732000    
 C   -6.158200       3.222900     -0.8007000    
 H    3.011300      -2.111700      -2.401400    
 H    1.613600      -1.058800      -2.540400    
 H   -5.909200     -0.6459000       1.862600    
 H    1.555900      0.8084000     -0.3350000    
 H    2.089100       1.341400      -1.943400    
 H   -7.036300       1.374700       1.063800    
 H   -5.334700       1.687600       1.344100    
 H    2.972300       2.842500     -0.1433000    
 H   -4.279400      -1.009700     -0.5202000    
 H   -6.629200       1.242600      -1.390700    
 H   -4.897000       1.550300      -1.115100    
 H  -0.3389000      -1.068600      -2.102800    
 H   0.8821000      -2.462200       1.823700    
 H   -2.461300     -0.4147000      -1.214100    
 H   -1.303500      -1.872600       2.695300    
 H    5.061000       3.474800      0.7462000    
 H    1.932100      -3.811900      0.5953000    
 H   -8.619600      -1.645100     -9.7800002E-02
 H    7.000000       4.193500       1.615900    
 H    8.411000       3.193600       1.726300    
 H   -6.269700       4.643900      -2.131100    


%chk=000168809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168809

0 1
O -7.430061 0.217900 -1.808845
O -4.216520 -1.089886 1.877289
O -5.419410 -0.419542 -2.780497
O 1.896100 2.130497 -2.438952
O -4.441805 4.806624 -0.748135
O 3.437567 -4.626280 1.387043
O -5.283953 4.074823 1.288049
N 1.830260 -3.133403 0.543091
N 4.764930 0.326608 0.999308
N -4.152075 -0.530494 -0.369957
N 2.933914 -0.223713 -1.054345
N 5.096690 2.532250 0.112097
N 3.728318 3.390398 -1.682845
N 5.491116 4.674297 -0.816533
C 3.165754 -1.135058 -0.138331
C 2.824049 -2.577108 -0.423478
C -5.534119 -0.039288 -0.339901
C 3.779515 -0.757902 1.222255
C -5.665734 1.394727 0.258249
C 4.407863 1.316095 0.097399
C 0.494284 -2.607467 0.590104
C 3.392136 1.093517 -0.840835
C -4.899160 2.455117 -0.551035
C -2.165530 -1.563659 0.659508
C -3.571868 -1.049265 0.777745
C 0.007785 -1.795671 -0.470786
C -0.352829 -2.849124 1.710741
C -1.303157 -1.283940 -0.429967
C -1.661667 -2.341352 1.732304
C -6.080178 -0.114482 -1.760581
C 2.919804 2.204575 -1.705436
C 2.245424 -4.210539 1.331381
C 4.732010 3.515424 -0.837928
C -4.917661 3.813382 0.121695
H 3.717936 -3.220066 -0.321322
H 2.444917 -2.662325 -1.455461
H -6.134496 -0.707883 0.308692
H 4.278315 -1.623823 1.687844
H 2.983383 -0.408247 1.913566
H -6.737984 1.652258 0.312128
H -5.285364 1.354236 1.292621
H 5.736346 0.205034 1.290623
H -3.725822 -0.647831 -1.293773
H -5.299645 2.576316 -1.575173
H -3.837706 2.159504 -0.671464
H 0.648888 -1.520859 -1.311480
H 0.007237 -3.402147 2.583052
H -1.618051 -0.632394 -1.252962
H -2.317009 -2.514175 2.592076
H 5.680240 2.773483 0.916318
H 1.426738 -4.696106 1.894904
H -7.756464 0.163823 -2.747802
H 6.414027 4.722810 -0.391670
H 5.205147 5.400691 -1.469924
H -4.432825 5.681739 -0.272965


