%chk=000156771.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156771

0 1
 O   9.8800004E-02  -3.149200     -0.9811000    
 O  -0.5082000       1.584900      -1.689600    
 N    3.715400      0.8766000      0.1713000    
 C  -0.6713000      0.1313000      0.2436000    
 C   0.3948000     -0.8349000     -0.3345000    
 C    1.465200     -0.9161000      0.7533000    
 C    1.527300      0.5195000       1.287600    
 C   5.7300001E-02  0.9698000       1.318800    
 C   -1.739900     -0.7974000      0.8527000    
 C   -1.822600      -1.981700     -0.1137000    
 C  -0.3810000      -2.121000     -0.5205000    
 C    2.826700      -1.422000      0.2795000    
 C    2.384300       1.448800      0.4105000    
 C   -1.229100       1.047700     -0.8485000    
 C   -3.081600     -0.1192000       1.115500    
 C    3.602800     -0.3986000     -0.5488000    
 C   -3.521600      0.8242000      3.2000002E-02
 C   -2.681300       1.345600     -0.8719000    
 C    4.545600       1.815700     -0.5839000    
 C   -4.981700       1.175900      2.7799999E-02
 H   0.7823000     -0.5112000      -1.305000    
 H    1.118900      -1.587600       1.551800    
 H    1.943800      0.5230000       2.303100    
 H  -0.3562000      0.7690000       2.314700    
 H  -3.7500001E-02   2.049600       1.156300    
 H   -1.379700      -1.198100       1.812000    
 H   -2.426900      -1.772200      -1.000500    
 H   -2.176300      -2.886700      0.3865000    
 H    2.711800      -2.349100     -0.2935000    
 H    3.426400      -1.676400       1.163800    
 H    1.884500       1.661600     -0.5424000    
 H    2.483800       2.408700      0.9336000    
 H   -3.021800      0.4501000       2.052000    
 H   -3.843800     -0.8937000       1.266800    
 H    4.603400     -0.8074000     -0.7371000    
 H    3.124700     -0.2605000      -1.526900    
 H   -3.027100       2.026600      -1.642500    
 H    4.663900       2.754500     -3.1399999E-02
 H    4.121900       2.045500      -1.568300    
 H    5.552600       1.408700     -0.7281000    
 H   -5.265100       1.628100      0.9838000    
 H   -5.588300      0.2776000     -0.1261000    
 H   -5.234000       1.888000     -0.7651000    


%chk=000156771-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156771

0 1
O 0.139012 -3.101436 -1.180863
O -0.557838 1.642596 -1.723231
N 3.761938 0.836818 0.157105
C -0.694242 0.195820 0.240316
C 0.373149 -0.773285 -0.359030
C 1.468510 -0.889660 0.754706
C 1.550870 0.565702 1.298555
C 0.074942 1.068625 1.307607
C -1.754872 -0.772563 0.872904
C -1.799410 -1.973512 -0.106064
C -0.357929 -2.085555 -0.633985
C 2.823987 -1.462206 0.287795
C 2.434306 1.453901 0.389768
C -1.307753 1.091763 -0.854656
C -3.115768 -0.110578 1.170026
C 3.624717 -0.455027 -0.559378
C -3.624552 0.786699 0.055227
C -2.761913 1.330357 -0.861492
C 4.685596 1.759517 -0.531787
C -5.107193 1.074442 0.034085
H 0.822436 -0.370518 -1.284533
H 1.073321 -1.543705 1.560252
H 1.992890 0.566758 2.312888
H -0.384019 0.932139 2.305448
H 0.024874 2.147151 1.070448
H -1.339052 -1.139297 1.832991
H -2.461469 -1.758275 -0.970800
H -2.139555 -2.922752 0.341904
H 2.657504 -2.393020 -0.287006
H 3.426479 -1.718597 1.180079
H 1.898888 1.654282 -0.574223
H 2.585962 2.432460 0.884759
H -3.039621 0.506072 2.092013
H -3.873963 -0.886247 1.398399
H 4.636260 -0.859249 -0.750921
H 3.136230 -0.313024 -1.559519
H -3.125571 1.994718 -1.655369
H 4.805650 2.681515 0.065449
H 4.336645 2.054493 -1.554071
H 5.678561 1.285346 -0.633546
H -5.445052 1.463966 1.014775
H -5.682744 0.144618 -0.145512
H -5.379014 1.806748 -0.743912


