%chk=000171394.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171394

0 1
 O   0.3188000     -1.4200000E-02   1.429700    
 O   -2.401000       1.167100       1.464400    
 O  -0.6709000       1.267000      -1.758100    
 O   0.9385000       3.084300     -0.4821000    
 O  -0.2268000       2.829400       1.508700    
 O   -3.707600       1.145000      -1.027900    
 O    1.705700      0.4025000     -0.4521000    
 O  -0.2495000      -2.744200      0.3673000    
 O  -0.3310000      -1.335100      -1.422500    
 N   -4.951300      -1.436300     -0.5427000    
 C   -1.799700      0.5992000      0.2862000    
 C   -1.041300       1.720300     -0.4572000    
 C  -0.8567000     -0.5118000      0.7922000    
 C   0.2093000       2.159800      0.3229000    
 C   -2.958100      3.4600001E-02 -0.5475000    
 C    1.080300      0.9543000      0.7026000    
 C   -3.873900     -0.8775000      0.2625000    
 C  -0.4552000      -1.542300     -0.2246000    
 C    2.931500     -0.1760000     -0.2673000    
 C   -5.788200      -2.325200      0.2517000    
 C    3.062400      -1.253500      0.6033000    
 C    4.038300      0.3181000     -0.9506000    
 C    4.312500      -1.842800      0.7925000    
 C    5.288300     -0.2713000     -0.7616000    
 C    5.425400      -1.351700      0.1100000    
 H   -1.695700       2.590400     -0.5960000    
 H   -1.375600      -1.064800       1.585800    
 H   -2.596800     -0.4933000      -1.434800    
 H    1.856100       1.313800       1.393200    
 H   -4.342800     -0.3091000       1.074100    
 H   -3.300700      -1.699300      0.7030000    
 H   -2.637200      0.4608000       2.087500    
 H  -0.1651000       1.981100      -2.181900    
 H    1.866500       3.066500     -0.1935000    
 H   -1.028500       3.337900       1.302200    
 H   -4.456200      0.7937000      -1.539600    
 H   -4.558200      -1.954900      -1.327600    
 H   1.5000000E-02  -3.431100     -0.2810000    
 H   -5.217400      -3.174400      0.6417000    
 H   -6.593600      -2.721700     -0.3743000    
 H   -6.254200      -1.792100       1.086800    
 H    2.213600      -1.661500       1.140200    
 H    3.935900       1.159900      -1.629600    
 H    4.419200      -2.685400       1.469500    
 H    6.154900      0.1112000      -1.292800    
 H    6.398700      -1.810700      0.2569000    


%chk=000171394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171394

0 1
O 0.389288 -0.436967 1.089773
O -2.276744 0.580822 1.526105
O -0.737065 0.854329 -1.845297
O 0.726018 2.849427 -0.659447
O -0.396958 2.624881 1.433370
O -3.925030 0.996298 -0.809042
O 2.094577 0.740100 -0.237856
O 0.903153 -1.774400 -1.203143
O -1.286994 -2.463204 -1.501519
N -5.376884 -1.160590 -0.375981
C -1.851983 0.200078 0.181055
C -1.175178 1.379025 -0.555522
C -0.791493 -0.943365 0.355731
C 0.052219 1.922325 0.217570
C -3.126405 -0.213704 -0.604456
C 1.016807 0.816169 0.758221
C -3.993722 -1.245199 0.167477
C -0.444747 -1.765929 -0.887397
C 3.287636 0.048801 0.096442
C -6.443759 -1.639117 0.530720
C 3.423293 -0.788567 1.227288
C 4.363781 0.250329 -0.797323
C 4.671770 -1.407819 1.466503
C 5.599622 -0.381810 -0.546810
C 5.762034 -1.209928 0.589673
H -1.925646 2.184071 -0.682142
H -1.229699 -1.655083 1.078361
H -2.822493 -0.619899 -1.585932
H 1.449882 1.152657 1.718854
H -4.034619 -0.946078 1.229407
H -3.549659 -2.259591 0.088575
H -1.710839 1.337061 1.853575
H -0.165808 1.550140 -2.263269
H 1.684821 2.576913 -0.712129
H -0.781895 3.496110 1.155463
H -4.870830 0.642566 -0.716656
H -5.440505 -1.603817 -1.303758
H 1.040577 -2.346813 -2.006481
H -6.331666 -2.703837 0.837356
H -7.426109 -1.522037 0.039900
H -6.445127 -1.021441 1.446086
H 2.571074 -0.988865 1.880813
H 4.222017 0.894904 -1.670822
H 4.783112 -2.059579 2.340174
H 6.435301 -0.224117 -1.237497
H 6.722576 -1.698551 0.783588


