%chk=000161078.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161078

0 1
 O    1.581400      0.2814000      -1.769100    
 N   -2.947100     -0.2515000     -0.1006000    
 C    1.038400       2.427300      5.9599999E-02
 C    2.019400       3.311800      0.7578000    
 C    2.219400       2.969500     -0.6794000    
 C    1.338400       1.000400      0.4761000    
 C    2.890500       1.209400      0.6024000    
 C    2.943100       2.435400       1.575100    
 C    3.275500       1.891100     -0.7506000    
 C   0.8936000     -3.7099998E-02 -0.5375000    
 C  -0.6314000      7.6099999E-02 -0.8413000    
 C    1.277200      -1.488400     -0.2140000    
 C   -1.545600     -0.4071000      0.2879000    
 C    1.386400      -1.856700       1.104500    
 C    1.494500      -2.354600      -1.257200    
 C    1.734800      -3.175000       1.398300    
 C    1.842900      -3.672900     -0.9632000    
 C   -3.831500     -0.8134000      0.9299000    
 C   -3.256700       1.163000     -0.3526000    
 C    1.963100      -4.083000      0.3645000    
 C   -5.299900     -0.7028000      0.5168000    
 C   -4.706400       1.338000     -0.8079000    
 C   -5.680200      0.7393000      0.2004000    
 H   3.0099999E-02   2.764700     -8.0399998E-02
 H    1.779900       4.301200       1.093700    
 H    2.137900       3.693800      -1.465300    
 H   0.8886000      0.8336000       1.461500    
 H    3.491500      0.3504000      0.9007000    
 H    2.532200       2.208200       2.563200    
 H    3.946500       2.861700       1.665400    
 H    4.267400       2.354200     -0.6600000    
 H    3.332600       1.296000      -1.656100    
 H  -0.8257000       1.103100      -1.149900    
 H  -0.8514000     -0.5191000      -1.740800    
 H    1.093200      0.9886000      -2.224300    
 H   -1.334700      0.1399000       1.214600    
 H   -1.356000      -1.468900      0.4783000    
 H    1.200400      -1.186300       1.934200    
 H    1.389700      -2.065400      -2.297700    
 H    1.824200      -3.496000       2.432100    
 H    2.016300      -4.381400      -1.768000    
 H   -3.600100      -1.874900       1.081000    
 H   -3.681200     -0.3067000       1.892500    
 H   -3.072300       1.772500      0.5418000    
 H   -2.667300       1.585100      -1.168700    
 H    2.232500      -5.110000      0.5933000    
 H   -5.940200      -1.086100       1.319300    
 H   -5.481700      -1.330500     -0.3648000    
 H   -4.847500      0.8545000      -1.783100    
 H   -4.926600       2.402900     -0.9445000    
 H   -5.663400       1.333000       1.122600    
 H   -6.702000      0.7817000     -0.1920000    


%chk=000161078-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161078

0 1
O 1.452212 0.240174 -2.095511
N -3.031919 -0.131430 -0.052364
C 1.296559 2.579563 -0.310732
C 2.253155 3.414553 0.574597
C 2.729352 2.933702 -0.814098
C 1.343867 1.138909 0.242925
C 2.849782 1.169072 0.693476
C 2.852945 2.440639 1.605388
C 3.610867 1.697468 -0.563240
C 0.859183 0.031346 -0.746722
C -0.694982 0.109642 -0.951207
C 1.278174 -1.382200 -0.318292
C -1.584255 -0.245867 0.260346
C 1.221838 -1.789238 1.040292
C 1.681827 -2.329785 -1.292204
C 1.560904 -3.107673 1.416848
C 2.022357 -3.648884 -0.917076
C -3.863510 -0.936236 0.881322
C -3.501745 1.276790 -0.100456
C 1.962533 -4.045925 0.438466
C -5.346536 -0.926972 0.457851
C -4.973687 1.361861 -0.554124
C -5.881607 0.520194 0.370962
H 0.396829 3.027108 -0.739139
H 2.059958 4.466956 0.790284
H 2.896776 3.628888 -1.639377
H 0.708586 1.071989 1.148752
H 3.236273 0.244421 1.142433
H 2.219492 2.324678 2.504360
H 3.871802 2.728897 1.922463
H 4.652694 1.975044 -0.317174
H 3.606838 0.978830 -1.397245
H -0.931030 1.133693 -1.303165
H -0.948484 -0.578218 -1.777985
H 1.370695 1.207356 -2.300178
H -1.314948 0.387643 1.146504
H -1.386747 -1.294938 0.545685
H 0.917849 -1.077122 1.816111
H 1.739034 -2.012818 -2.336760
H 1.512941 -3.400004 2.472210
H 2.336303 -4.366410 -1.684099
H -3.476621 -1.972307 0.882802
H -3.782726 -0.547681 1.933139
H -3.400178 1.763565 0.908537
H -2.863448 1.844469 -0.801218
H 2.227195 -5.069086 0.728697
H -5.938784 -1.521626 1.180050
H -5.434595 -1.414425 -0.532360
H -5.048295 0.981665 -1.591230
H -5.295414 2.421433 -0.559645
H -5.891216 0.970096 1.385804
H -6.925392 0.528201 0.003795


