%chk=000023779.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023779

1 1
 O  -9.5700003E-02   1.425500     -0.9535000    
 O   -2.671300     -0.4657000      -2.099900    
 N    3.247700      0.2037000      0.1568000    
 C    2.008000      0.2801000     -0.7227000    
 C    3.979500       1.537600      0.1194000    
 C    4.167600     -0.8941000     -0.3578000    
 C    2.835900     -0.1089000       1.588200    
 C    1.082200       1.351000     -0.1593000    
 C    2.452200      0.5931000      -2.142600    
 C    5.210600       1.455400      0.9951000    
 C    3.434800      -2.217300     -0.3182000    
 C   -1.245700       1.811600     -0.3168000    
 C   -2.353100      0.9704000     -0.2813000    
 C   -1.287300       3.060500      0.2951000    
 C   -3.514300       1.382200      0.3726000    
 C   -2.324800     -0.3394000     -0.9171000    
 C   -2.448400       3.472400      0.9493000    
 C   -3.561900       2.633200      0.9880000    
 C   -1.886400      -1.569400     -0.1931000    
 C   -1.496300      -1.456300       1.121500    
 C   -1.889400      -2.767600     -0.8691000    
 C   -1.086300      -2.605400       1.797700    
 C   -1.479700      -3.916900     -0.1929000    
 C   -1.078100      -3.835700       1.140400    
 H    1.474600     -0.6751000     -0.6971000    
 H    3.341000       2.331400      0.5103000    
 H    4.299400       1.768100     -0.8985000    
 H    5.013300     -0.9835000      0.3315000    
 H    4.577300     -0.6424000      -1.338300    
 H    1.983500     -0.7958000       1.585500    
 H    3.672100     -0.5748000       2.119200    
 H    2.556700      0.8169000       2.101500    
 H   0.7957000       1.135000      0.8750000    
 H    1.521200       2.350400     -0.1992000    
 H    3.127200     -0.1392000      -2.587800    
 H    1.566500      0.5683000      -2.792100    
 H    2.860700       1.597900      -2.276700    
 H    5.662500       2.453800       1.049400    
 H    5.009700       1.162600       2.028300    
 H    5.990200      0.8097000      0.5819000    
 H    4.154600      -3.015000     -0.5407000    
 H    3.002200      -2.470500      0.6523000    
 H    2.664400      -2.303700      -1.089100    
 H  -0.4316000       3.729100      0.2653000    
 H   -4.388800      0.7375000      0.4095000    
 H   -2.486300       4.447200       1.426500    
 H   -4.466100       2.954100       1.496900    
 H   -1.487100     -0.5181000       1.665200    
 H   -2.196800      -2.855600      -1.906400    
 H  -0.7721000      -2.542300       2.835400    
 H   -1.472600      -4.874900     -0.7045000    
 H  -0.7582000      -4.730300       1.666600    


%chk=000023779-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023779

1 1
O -0.280956 1.012943 -0.511160
O -3.562210 -0.685720 -1.679423
N 3.247747 0.086001 0.271735
C 1.935647 0.276080 -0.574502
C 4.073795 1.401733 0.279715
C 4.112948 -1.052599 -0.342340
C 2.872901 -0.303319 1.704503
C 1.033984 1.411488 -0.020366
C 2.188164 0.477705 -2.076391
C 5.363635 1.366818 1.109192
C 3.401602 -2.402769 -0.486764
C -1.431243 1.702924 -0.051343
C -2.658336 1.010190 -0.235325
C -1.394186 3.013468 0.470556
C -3.864118 1.698870 0.046740
C -2.731090 -0.399719 -0.768188
C -2.610813 3.658709 0.791798
C -3.846333 3.009744 0.568457
C -1.865108 -1.474870 -0.165155
C -1.363861 -1.381679 1.160472
C -1.617826 -2.650498 -0.921966
C -0.623218 -2.447723 1.718667
C -0.860929 -3.706822 -0.372504
C -0.363579 -3.610112 0.950734
H 1.374042 -0.661389 -0.419894
H 3.397033 2.182278 0.665848
H 4.299907 1.630177 -0.774361
H 4.984969 -1.150147 0.323841
H 4.467732 -0.681149 -1.317415
H 2.037450 -1.018834 1.679433
H 3.743283 -0.762681 2.194764
H 2.574028 0.592597 2.267155
H 1.022549 1.469758 1.085906
H 1.325579 2.398696 -0.432584
H 2.663293 -0.389131 -2.562375
H 1.197199 0.607980 -2.545252
H 2.774955 1.385276 -2.300912
H 5.807892 2.377400 1.073804
H 5.187767 1.133174 2.172408
H 6.121019 0.674430 0.707728
H 4.142235 -3.130353 -0.863499
H 3.023168 -2.794484 0.472032
H 2.570245 -2.383658 -1.209851
H -0.447671 3.548701 0.598719
H -4.811124 1.181676 -0.138271
H -2.590136 4.676486 1.195054
H -4.785594 3.521022 0.798607
H -1.592587 -0.496280 1.765279
H -2.044090 -2.721865 -1.928334
H -0.291876 -2.396701 2.762839
H -0.682557 -4.614224 -0.959422
H 0.187674 -4.448796 1.391313


