%chk=000113875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113875

0 1
 O   -2.280100       2.448000      0.2062000    
 O   -5.049400       2.623700      2.9100001E-02
 O    1.856700      -2.711900       1.524600    
 O    2.535700      -1.716200     -0.9802000    
 O    3.889800       1.604700       1.373600    
 N   -3.624500     -0.7859000     -0.2054000    
 C   -4.349800      0.3506000      0.3458000    
 C   -4.352500       1.548500     -0.6069000    
 C   -3.588800      -1.890900      0.7429000    
 C   -2.818000      -3.080400      0.1693000    
 C   -2.951300       2.029300     -0.9780000    
 C   -1.386300      -2.717400     -0.1347000    
 C  -0.4189000      -2.884100      0.8446000    
 C   -1.061100      -2.222000      -1.388400    
 C   0.9052000      -2.547500      0.5636000    
 C   0.2629000      -1.885300      -1.669400    
 C    1.246100      -2.048100     -0.6934000    
 C  -0.9197000       2.294100      0.2294000    
 C  -0.2727000       2.065300       1.439000    
 C  -0.1974000       2.366300     -0.9570000    
 C    1.843300       1.977800      0.2763000    
 C    1.112900       1.906700       1.462600    
 C    1.188300       2.207600     -0.9334000    
 C    3.288100       1.811700      0.3000000    
 C    4.092000       1.889900      -1.010100    
 C    2.097400      -1.607300       2.394100    
 C    5.589800       1.713700     -0.8153000    
 C    3.362200      -2.740900      -1.528800    
 H   -3.914800      0.6551000       1.306700    
 H   -5.388800      6.9399998E-02  0.5621000    
 H   -4.897700       1.298000      -1.524800    
 H   -4.608000      -2.218000      0.9817000    
 H   -3.115300      -1.568200       1.678800    
 H   -3.309000      -3.454900     -0.7388000    
 H   -2.844600      -3.912600      0.8842000    
 H   -4.063000      -1.086600      -1.075300    
 H   -2.426700       1.220900      -1.501800    
 H   -3.030700       2.897900      -1.642600    
 H  -0.6820000      -3.271600       1.825300    
 H   -1.816100      -2.095700      -2.159100    
 H   -5.952700       2.316500      0.2170000    
 H   0.5214000      -1.495900      -2.650400    
 H  -0.8383000       2.007400       2.364700    
 H  -0.6648000       2.574000      -1.914700    
 H    1.599600       1.728700       2.417800    
 H    1.715700       2.275400      -1.879500    
 H    3.917800       2.870000      -1.467300    
 H    3.735100       1.103300      -1.684000    
 H    2.632700     -0.8219000       1.855900    
 H    2.724900      -1.952500       3.220200    
 H    1.161100      -1.216600       2.805500    
 H    5.814400      0.7385000     -0.3709000    
 H    6.110200       1.780800      -1.775600    
 H    5.992500       2.485900     -0.1518000    
 H    3.446700      -3.581700     -0.8332000    
 H    2.961400      -3.084300      -2.487700    
 H    4.358900      -2.323300      -1.695500    


%chk=000113875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113875

0 1
O -2.263920 2.031159 0.302958
O -5.030839 2.734855 -0.193398
O 1.839350 -2.604935 1.229522
O 2.351802 -1.549681 -1.470104
O 3.997469 2.306414 1.711415
N -4.174889 -0.945165 -0.103394
C -4.630555 0.346475 0.437406
C -4.444646 1.460084 -0.622801
C -3.762304 -1.982263 0.863074
C -2.977797 -3.130831 0.167670
C -2.974324 1.705110 -0.946779
C -1.577038 -2.735818 -0.275342
C -0.494410 -2.834273 0.633478
C -1.317971 -2.229832 -1.574529
C 0.811142 -2.439864 0.272624
C -0.011049 -1.852416 -1.954896
C 1.062038 -1.961189 -1.045386
C -0.871945 2.071625 0.266901
C -0.235958 2.390477 1.498479
C -0.089831 1.804010 -0.886625
C 1.966584 2.112983 0.434515
C 1.162282 2.409312 1.574974
C 1.314171 1.820628 -0.791553
C 3.453945 2.086855 0.584127
C 4.311022 1.767492 -0.649266
C 2.506228 -1.352199 1.659847
C 5.817942 1.726635 -0.344732
C 3.357488 -2.638861 -1.505390
H -4.016386 0.601618 1.318243
H -5.701747 0.343880 0.767861
H -4.925280 1.125496 -1.573334
H -4.625767 -2.427988 1.416048
H -3.109227 -1.504170 1.616880
H -3.570780 -3.490336 -0.697089
H -2.918511 -3.974042 0.882675
H -4.807095 -1.320275 -0.822747
H -2.565777 0.770968 -1.376499
H -2.872830 2.546950 -1.658125
H -0.644556 -3.215910 1.650261
H -2.139578 -2.142556 -2.294085
H -5.924830 2.564256 0.198997
H 0.204104 -1.482224 -2.963141
H -0.862168 2.611225 2.368313
H -0.560017 1.562461 -1.843107
H 1.671859 2.645069 2.515333
H 1.898697 1.574292 -1.683080
H 4.094792 2.525918 -1.429872
H 3.968319 0.800352 -1.072065
H 2.994712 -0.850496 0.806649
H 3.252816 -1.660053 2.406957
H 1.771291 -0.663887 2.115884
H 6.047005 0.955139 0.410783
H 6.394374 1.506150 -1.261461
H 6.163108 2.690139 0.067208
H 3.464626 -3.109632 -0.511728
H 3.063646 -3.401174 -2.251759
H 4.301013 -2.159958 -1.809799


