%chk=000100849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100849

1 1
 O    5.452800       1.314300      0.3168000    
 O   -6.119800     -0.8281000      0.9074000    
 O   -5.550200       2.103400     -0.6776000    
 O    5.100200      -1.129200      -1.977900    
 O    5.690900      -2.027200     -6.3900001E-02
 N  -0.6242000     -0.6074000     -0.3151000    
 N   -4.645400      -2.342700     -9.4899997E-02
 N   -3.417000       2.756100      2.7100001E-02
 N    4.963300      -1.261200     -0.7388000    
 C   -1.772400      -1.605400     -0.3579000    
 C   -1.179500      0.7976000     -0.1316000    
 C   0.2976000     -0.9442000      0.8481000    
 C   0.1578000     -0.6777000      -1.619000    
 C   -2.570900      -1.500100      0.9349000    
 C   -2.130000       1.110300      -1.280100    
 C    1.668000     -0.3509000      0.7031000    
 C   -3.715500      -2.506600      0.9887000    
 C   -2.693400       2.524800      -1.193000    
 C    2.674800      -1.068400      5.7000000E-02
 C    1.935400      0.9184000       1.215900    
 C    3.948700     -0.5164000     -7.6300003E-02
 C    3.209300       1.470400       1.082700    
 C    4.216000      0.7529000      0.4364000    
 C   -5.754600      -1.522400     -3.2600001E-02
 C   -4.771200       2.524200      0.1680000    
 C    5.629300       2.615400      0.8726000    
 H   -1.324100      -2.603600     -0.4467000    
 H   -2.367400      -1.453700      -1.262100    
 H   -1.625200      0.9022000      0.8609000    
 H  -0.3365000       1.495300     -0.1783000    
 H  -0.1595000     -0.5945000       1.781300    
 H   0.3797000      -2.037300      0.9097000    
 H  -0.5425000     -0.6800000      -2.459600    
 H   0.8313000      0.1790000      -1.710900    
 H   0.6868000      -1.633900      -1.660300    
 H   -3.028800     -0.5141000       1.052900    
 H   -1.952600      -1.686900       1.817400    
 H   -1.639600       1.037800      -2.254400    
 H   -2.994300      0.4409000      -1.290400    
 H   -4.253700      -2.402700       1.937600    
 H   -3.327200      -3.529200      0.9331000    
 H   -3.360800       2.709200      -2.042200    
 H   -1.883900       3.261500      -1.236300    
 H    2.477600      -2.067600     -0.3249000    
 H    1.164000       1.484800       1.731000    
 H   -4.473600      -2.855900     -0.9546000    
 H   -2.901900       3.105000      0.8303000    
 H    3.340900       2.459200       1.508000    
 H   -6.315000      -1.557100     -0.9815000    
 H   -5.101400       2.771600       1.190400    
 H    4.999800       3.358500      0.3713000    
 H    5.491100       2.613500       1.959200    
 H    6.668800       2.905500      0.6871000    


%chk=000100849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100849

1 1
O 5.364736 1.579842 0.481164
O -4.706002 -0.030571 1.553360
O -4.997366 1.486953 -1.391150
O 4.575717 -1.578844 -1.987534
O 6.213054 -0.735183 -0.636482
N -0.737436 -0.812633 -0.443025
N -4.913224 -2.019585 0.345288
N -3.434224 2.810514 -0.278426
N 4.985714 -0.879008 -0.975226
C -1.936920 -1.798226 -0.326321
C -1.209065 0.661270 -0.318758
C 0.291691 -1.130403 0.709717
C -0.076892 -1.053131 -1.795318
C -2.487816 -2.006013 1.093052
C -1.913944 1.227391 -1.561805
C 1.604320 -0.388461 0.639071
C -3.855183 -2.746033 1.074647
C -2.406295 2.684197 -1.327243
C 2.683570 -0.895545 -0.120179
C 1.828343 0.788494 1.405404
C 3.926250 -0.241199 -0.148488
C 3.064644 1.455655 1.380492
C 4.146555 0.963959 0.593110
C -5.299018 -0.737057 0.681355
C -4.683423 2.238652 -0.420086
C 5.618837 2.827602 1.232843
H -1.580071 -2.753493 -0.752564
H -2.724779 -1.396265 -0.986144
H -1.881159 0.703450 0.556079
H -0.297530 1.243634 -0.098939
H -0.243835 -0.894665 1.642145
H 0.440581 -2.222719 0.652120
H -0.841697 -1.002076 -2.582995
H 0.699489 -0.296087 -1.972338
H 0.378407 -2.055491 -1.794287
H -2.659401 -1.046488 1.611192
H -1.800105 -2.619480 1.701976
H -1.223937 1.264983 -2.423933
H -2.798404 0.632627 -1.849773
H -4.160963 -2.887539 2.128539
H -3.754743 -3.747683 0.619263
H -2.823743 3.039332 -2.287814
H -1.561034 3.345059 -1.062761
H 2.595704 -1.817470 -0.703771
H 1.032379 1.180197 2.050787
H -5.489567 -2.531051 -0.326802
H -3.278636 3.446212 0.506258
H 3.198809 2.357331 1.983367
H -6.158993 -0.366573 0.088735
H -5.377893 2.487463 0.407313
H 4.919837 3.624478 0.919747
H 5.549233 2.647658 2.320538
H 6.647426 3.099418 0.962599


