%chk=000161515.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161515

0 1
 O    2.364900       2.113500      -1.585500    
 O    2.269100      0.1899000       2.442900    
 N   -2.402200      -1.077200     -0.4671000    
 C  -0.4972000      0.6230000     -0.4555000    
 C    1.314600     -0.8471000      0.3852000    
 C    1.057000      0.5476000     -0.2706000    
 C  -0.1296000      -1.182400      0.8587000    
 C  -0.9510000     -0.8547000     -0.4464000    
 C   -1.122800       1.036100      0.9165000    
 C  -0.6702000     -0.1257000       1.847900    
 C   -2.665700       1.104300      0.7761000    
 C  -0.9308000       1.500600      -1.623500    
 C    2.065200      0.7330000      -1.407300    
 C    1.812100      -1.955600     -0.6295000    
 C    2.540700     -0.6464000       1.331900    
 C    3.361700     -5.6100000E-02  -1.043500    
 C   -3.204000     -0.3246000      0.4997000    
 C   -3.039300       2.082800     -0.3660000    
 C    3.096100      -1.529200      -1.352200    
 C   -2.432700       1.729200      -1.717600    
 C    3.647400     -1.4100000E-02  0.4663000    
 C   -3.304100       1.640300       2.073300    
 C   -2.738900      -2.497400     -0.4464000    
 C    4.765600      0.5345000      0.9629000    
 C   -4.205500      -2.724400     -0.7503000    
 H    1.272800       1.360200      0.4375000    
 H  -0.2308000      -2.208700       1.220000    
 H  -0.5722000      -1.333900      -1.349200    
 H  -0.7286000       1.997700       1.267700    
 H   -1.481300     -0.5425000       2.450100    
 H   6.0100000E-02  0.2208000       2.575100    
 H  -0.5819000       1.075800      -2.571700    
 H  -0.4475000       2.481100      -1.523000    
 H    1.660800      0.3727000      -2.359400    
 H    1.082800      -2.222500      -1.395100    
 H    1.995500      -2.890200     -8.2599998E-02
 H    2.876300      -1.613600       1.723100    
 H    4.216500      0.3125000      -1.621900    
 H   -3.282700     -0.8819000       1.442000    
 H   -4.232100     -0.2275000      0.1279000    
 H   -2.707300       3.094400     -9.4800003E-02
 H   -4.130100       2.138600     -0.4734000    
 H    3.937200      -2.158800      -1.035200    
 H    2.983700      -1.681700      -2.432500    
 H   -2.631400       2.540600      -2.428300    
 H   -2.925700      0.8454000      -2.136400    
 H   -4.394100       1.702100       1.976400    
 H   -3.088200      0.9995000       2.934100    
 H   -2.932600       2.643800       2.309800    
 H   -2.158500      -3.022100      -1.215600    
 H   -2.485000      -2.958000      0.5160000    
 H    2.802400       2.434900     -0.7790000    
 H    2.331800       1.121500       2.175400    
 H    4.955600      0.5542000       2.030600    
 H    5.515300      0.9714000      0.3122000    
 H   -4.856800      -2.403800      6.8800002E-02
 H   -4.512100      -2.207100      -1.665900    
 H   -4.389600      -3.793800     -0.9013000    


%chk=000161515-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161515

0 1
O 2.354274 2.173277 -1.640444
O 2.374938 -0.026345 2.592743
N -2.418199 -1.099344 -0.387270
C -0.501546 0.585181 -0.485019
C 1.332781 -0.898305 0.370815
C 1.056192 0.502842 -0.293532
C -0.097330 -1.239522 0.891462
C -0.954121 -0.911479 -0.415447
C -1.086458 1.032656 0.904208
C -0.622619 -0.131571 1.862936
C -2.637822 1.150918 0.801680
C -0.946172 1.440898 -1.683543
C 2.074518 0.742256 -1.429398
C 1.827330 -1.995647 -0.641937
C 2.581096 -0.711653 1.305085
C 3.375788 -0.057936 -1.055515
C -3.221326 -0.271574 0.547113
C -2.998269 2.136086 -0.351465
C 3.119022 -1.546572 -1.396872
C -2.472282 1.683747 -1.730357
C 3.636407 0.033489 0.445948
C -3.236239 1.698048 2.120361
C -2.829920 -2.520456 -0.406712
C 4.649757 0.749741 0.998844
C -4.269766 -2.737109 -0.913755
H 1.312703 1.279467 0.466292
H -0.198957 -2.267697 1.280180
H -0.603175 -1.484942 -1.289429
H -0.673037 2.015414 1.211357
H -1.465053 -0.517908 2.462510
H 0.158963 0.175756 2.572383
H -0.614680 0.965288 -2.628374
H -0.413885 2.412611 -1.630580
H 1.713967 0.404873 -2.417096
H 1.042352 -2.242673 -1.372441
H 2.013515 -2.923056 -0.065564
H 2.957152 -1.704518 1.618999
H 4.221724 0.353200 -1.634551
H -3.340756 -0.792718 1.530732
H -4.244391 -0.163210 0.133975
H -2.563713 3.128350 -0.103026
H -4.098403 2.270968 -0.386353
H 3.993800 -2.154920 -1.103526
H 2.993820 -1.661189 -2.490140
H -2.703852 2.453415 -2.492985
H -2.983427 0.751773 -2.029474
H -4.343060 1.680423 2.089011
H -2.913597 1.105535 2.996056
H -2.922207 2.745921 2.286038
H -2.130310 -3.059420 -1.074935
H -2.731199 -2.991062 0.606648
H 2.728182 2.534996 -0.794121
H 2.368818 0.952244 2.427092
H 4.800159 0.786365 2.083948
H 5.375401 1.282067 0.372873
H -5.018712 -2.302968 -0.227943
H -4.401638 -2.274332 -1.908179
H -4.483838 -3.818678 -0.997900


