%chk=000166994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166994

1 1
 O    2.083900      0.5719000       1.254500    
 O    2.848800       2.599400     -0.1957000    
 O    3.852700      -1.670100      0.7226000    
 N   -3.046800     -0.2868000      0.3248000    
 C  -0.2595000      0.6889000      0.6012000    
 C   -1.165000       1.222000     -0.5168000    
 C   -2.135500      6.5700002E-02 -0.9169000    
 C   -1.098000      0.3304000       1.843400    
 C   0.9961000       1.518800      0.9654000    
 C   0.4506000     -0.5249000      9.8700002E-02
 C   -2.224900     -0.6657000       1.560800    
 C   -1.369500      -1.187000      -1.461400    
 C  -4.8400000E-02  -1.456700     -0.7928000    
 C  -0.3599000       1.766800      -1.671600    
 C    1.426700       2.548300     -0.1120000    
 C    1.747600     -0.5589000      0.5598000    
 C   -3.996000      -1.452400     -5.2000000E-03
 C   -3.970200      0.9027000      0.6584000    
 C   0.8305000       2.353900      -1.479900    
 C   0.7796000      -2.532200      -1.119700    
 C    2.579800      -1.614700      0.2595000    
 C    2.077500      -2.619400     -0.5771000    
 H   -1.741100       2.079800     -0.1531000    
 H   -2.835900      0.4050000      -1.691100    
 H   -1.523000       1.250000       2.265000    
 H  -0.4632000     -9.1899998E-02   2.633900    
 H   0.8326000       2.071400       1.899800    
 H   -1.819500      -1.669200       1.391000    
 H   -2.912900     -0.7277000       2.412200    
 H   -1.141500     -0.9827000      -2.517000    
 H   -1.978100      -2.092700      -1.463900    
 H  -0.7782000       1.720300      -2.672400    
 H    1.100200       3.540700      0.2256000    
 H   -4.735000      -1.537000      0.7980000    
 H   -4.487400      -1.236400     -0.9580000    
 H   -3.427500      -2.383500     -5.2900001E-02
 H   -4.510900       1.181200     -0.2506000    
 H   -4.671800      0.5892000       1.437900    
 H   -3.380900       1.740500       1.031500    
 H    1.351400       2.773800      -2.335800    
 H   0.4414000      -3.293900      -1.817100    
 H    2.702800      -3.465500     -0.8530000    
 H    3.086900       3.303000     -0.8234000    
 H    4.271900      -2.483400      0.3924000    


%chk=000166994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166994

1 1
O 2.154043 0.572295 1.169488
O 2.754211 2.948922 0.013712
O 3.920968 -1.700392 0.655258
N -3.060049 -0.261338 0.334654
C -0.228617 0.676554 0.601535
C -1.137574 1.206045 -0.548267
C -2.139190 0.060837 -0.918031
C -1.099892 0.382385 1.856733
C 1.016711 1.549233 0.979233
C 0.445482 -0.586651 0.089383
C -2.194305 -0.647715 1.558894
C -1.418929 -1.197622 -1.477515
C -0.102946 -1.535244 -0.785406
C -0.281149 1.626809 -1.735939
C 1.337625 2.632550 -0.096579
C 1.780132 -0.606355 0.503205
C -4.008235 -1.419705 0.028759
C -3.937028 0.947075 0.663025
C 0.898973 2.255460 -1.506744
C 0.719792 -2.636816 -1.128101
C 2.610477 -1.705821 0.188604
C 2.037586 -2.730523 -0.616323
H -1.707537 2.093282 -0.202385
H -2.860771 0.422407 -1.676314
H -1.523751 1.323205 2.258288
H -0.463969 -0.041837 2.655826
H 0.927951 2.041513 1.961261
H -1.738375 -1.621199 1.313683
H -2.886966 -0.778671 2.408295
H -1.188197 -0.944814 -2.532971
H -2.100477 -2.063473 -1.548946
H -0.626086 1.418587 -2.756199
H 0.723558 3.518450 0.203756
H -4.740187 -1.498255 0.847726
H -4.531572 -1.221997 -0.919797
H -3.446482 -2.360128 -0.039316
H -4.533025 1.207891 -0.225329
H -4.606915 0.678531 1.494369
H -3.320988 1.803089 0.960258
H 1.550392 2.562925 -2.333708
H 0.359772 -3.412486 -1.813006
H 2.655234 -3.595413 -0.889471
H 2.940439 3.815302 -0.430139
H 4.430263 -2.485891 0.333542


