%chk=000170339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170339

0 1
 O    2.197400      0.9208000       3.083800    
 O    1.178300      -1.061300       1.421200    
 O   -2.493800       1.427500      0.9053000    
 O   -3.171400      -1.322800      -1.169100    
 N    2.881700       1.329800     -0.5288000    
 N   -1.326600     -0.8428000      0.1707000    
 C    2.353800       2.276300      -1.517000    
 C    2.309000       1.587300      0.7817000    
 C    2.840300      0.6198000       1.841900    
 C    2.977400       1.957900      -2.880000    
 C   0.8316000       2.113500      -1.584200    
 C    2.712800       3.705900      -1.094400    
 C    2.583900     -0.8473000       1.504700    
 C   0.7540000      -2.030100      0.5516000    
 C  -0.4858000      -1.931300     -7.3100001E-02
 C    1.584600      -3.118900      0.3018000    
 C  -0.8986000      -2.929600     -0.9555000    
 C    1.171800      -4.117100     -0.5806000    
 C  -6.9700003E-02  -4.022600      -1.209200    
 C   -2.601700     -0.5837000     -0.3690000    
 C   -3.215700      0.6839000      6.1999999E-02
 C   -4.403200       1.221000     -0.2620000    
 C   -4.447300       2.442300      0.4518000    
 C   -3.262800       2.521700       1.146400    
 H    3.897500       1.404800     -0.4803000    
 H    2.541700       2.591500       1.151800    
 H    1.218000       1.497900      0.7947000    
 H    3.916400      0.7802000       1.979900    
 H    2.744400      0.9340000      -3.195300    
 H    2.602200       2.635400      -3.655500    
 H    4.068800       2.058800      -2.853900    
 H   0.3030000       2.545200     -0.7279000    
 H   0.5393000       1.060900      -1.680500    
 H   0.4360000       2.631400      -2.467000    
 H    3.776800       3.801700     -0.8479000    
 H    2.515000       4.403200      -1.918300    
 H    2.125200       4.073000     -0.2466000    
 H    3.107800      -1.089500      0.5720000    
 H    2.973300      -1.480300       2.311000    
 H    2.566900      0.3238000       3.756800    
 H    2.542900      -3.252800      0.7941000    
 H   -1.839000      -2.940900      -1.485500    
 H  -0.9564000     -0.1505000      0.8191000    
 H    1.813200      -4.972400     -0.7723000    
 H  -0.3904000      -4.801900      -1.894600    
 H   -5.159800      0.8173000     -0.9192000    
 H   -5.242800       3.173500      0.4590000    
 H   -2.837900       3.252200       1.819200    


%chk=000170339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170339

0 1
O 1.678130 0.988203 3.003308
O 0.971794 -0.827881 0.850385
O -2.468293 1.466680 1.138311
O -3.696050 -1.480063 -0.649323
N 3.240804 1.794520 -0.272827
N -1.558527 -0.921265 0.200191
C 2.822525 2.329507 -1.612874
C 2.268955 1.850907 0.841384
C 2.557169 0.724042 1.854666
C 4.075511 2.251128 -2.519204
C 1.708589 1.430132 -2.204402
C 2.328960 3.805220 -1.532403
C 2.376297 -0.671556 1.247445
C 0.595158 -2.003941 0.175950
C -0.791061 -2.047404 -0.178218
C 1.457602 -3.068799 -0.146957
C -1.292473 -3.179071 -0.864952
C 0.942506 -4.195967 -0.832875
C -0.422137 -4.246165 -1.187663
C -2.908417 -0.687243 -0.040264
C -3.392090 0.608728 0.484990
C -4.645072 1.205557 0.477728
C -4.515990 2.479557 1.146671
C -3.189903 2.604221 1.532644
H 4.144444 2.207569 0.000924
H 2.269705 2.811459 1.401167
H 1.248670 1.700847 0.453096
H 3.624737 0.782395 2.171780
H 4.431731 1.208348 -2.592316
H 3.845153 2.617995 -3.535155
H 4.899105 2.872697 -2.114957
H 0.779491 1.470859 -1.607984
H 2.045055 0.379180 -2.241457
H 1.459039 1.758675 -3.229632
H 3.127344 4.465546 -1.142560
H 2.031415 4.179021 -2.529827
H 1.452180 3.894803 -0.865044
H 3.034926 -0.739510 0.359125
H 2.640323 -1.467756 1.976524
H 1.625353 0.182754 3.576974
H 2.516710 -3.031672 0.124054
H -2.349939 -3.203101 -1.134334
H -1.036675 -0.200781 0.715899
H 1.611689 -5.025352 -1.085374
H -0.819287 -5.117372 -1.718919
H -5.539600 0.767340 0.041680
H -5.304766 3.208638 1.320125
H -2.618690 3.365075 2.057302


