%chk=000062577.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062577

0 1
 O    7.597500      0.6662000     -0.1059000    
 O    9.080700      -1.111500     -9.2600003E-02
 C   -1.146000     -0.3687000      0.1058000    
 C   -2.466800      0.4081000      0.1368000    
 C   9.0999998E-02  0.5326000      7.8800000E-02
 C   -3.740900     -0.4443000      0.1378000    
 C    1.379700     -0.2931000      7.2800003E-02
 C   -5.026600      0.3856000      0.1100000    
 C    2.650800      0.5622000      3.2900002E-02
 C   -6.297200     -0.4678000      3.2299999E-02
 C    3.939900     -0.2622000      0.1020000    
 C   -7.612600      0.3088000     -9.1300003E-02
 C    5.207300      0.5874000     -7.8999996E-03
 C   -8.851200     -0.5882000     -0.1119000    
 C    6.493700     -0.2270000     -2.5800001E-02
 C   -10.12700      0.2294000     -0.2429000    
 C    8.827500      8.2400002E-02 -0.1310000    
 H   -1.137700      -1.021200     -0.7760000    
 H   -1.100400      -1.023800      0.9845000    
 H   -2.475600       1.053200       1.024500    
 H   -2.495400       1.078300     -0.7320000    
 H   5.9999999E-02   1.172400     -0.8112000    
 H   8.3200000E-02   1.193900      0.9534000    
 H   -3.722100      -1.108200     -0.7352000    
 H   -3.742700      -1.088400       1.025400    
 H    1.404000     -0.9269000      0.9681000    
 H    1.376200     -0.9676000     -0.7924000    
 H   -5.071300       1.019600       1.003800    
 H   -5.000100       1.059300     -0.7553000    
 H    2.636100       1.271600      0.8695000    
 H    2.650000       1.158300     -0.8879000    
 H   -6.344400      -1.104000      0.9253000    
 H   -6.214500      -1.146600     -0.8262000    
 H    3.934100      -1.000800     -0.7091000    
 H    3.961400     -0.8250000       1.043200    
 H   -7.689400       1.011400      0.7478000    
 H   -7.584000      0.9123000      -1.006900    
 H    5.164300       1.200000     -0.9176000    
 H    5.244400       1.302300      0.8241000    
 H   -8.785100      -1.291800     -0.9496000    
 H   -8.894700      -1.181700      0.8086000    
 H    6.571100     -0.8233000      0.8908000    
 H    6.500100     -0.8978000     -0.8929000    
 H   -10.23700      0.9223000      0.5975000    
 H   -10.12700      0.8107000      -1.170500    
 H   -11.00000     -0.4305000     -0.2555000    
 H    9.589000      0.8749000     -0.1935000    


%chk=000062577-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062577

0 1
O 7.685552 0.730348 0.022040
O 9.203300 -1.052341 0.123501
C -1.173534 -0.394928 0.011936
C -2.482304 0.426322 -0.017765
C 0.099456 0.480863 -0.009610
C -3.755658 -0.449045 0.003724
C 1.407967 -0.340654 0.023186
C -5.064449 0.372206 -0.025350
C 2.679604 0.536782 0.000346
C -6.337999 -0.503097 -0.002831
C 3.987412 -0.285845 0.038647
C -7.647075 0.317816 -0.032712
C 5.252080 0.605048 0.011054
C -8.920560 -0.558322 -0.007798
C 6.531374 -0.228429 0.058956
C -10.223291 0.270070 -0.040001
C 8.949798 0.167646 0.060758
H -1.156483 -1.087754 -0.855430
H -1.163219 -1.034228 0.919609
H -2.499628 1.118971 0.849773
H -2.492931 1.065923 -0.925256
H 0.089699 1.118715 -0.918266
H 0.080913 1.174878 0.856741
H -3.738784 -1.141583 -0.863927
H -3.745053 -1.088848 0.911080
H 1.417472 -0.977364 0.932592
H 1.425711 -1.035449 -0.842479
H -5.081236 1.065198 0.841938
H -5.075581 1.011602 -0.932996
H 2.659935 1.233438 0.864129
H 2.671667 1.170464 -0.910850
H -6.327254 -1.141978 0.905241
H -6.321155 -1.196622 -0.869758
H 4.004321 -0.984369 -0.823601
H 3.994671 -0.916413 0.951956
H -7.665011 1.012395 0.833354
H -7.660266 0.955568 -0.941542
H 5.255160 1.224734 -0.906171
H 5.239578 1.302172 0.870778
H -8.900963 -1.253160 -0.872266
H -8.906771 -1.193886 0.901293
H 6.609680 -0.828176 0.984528
H 6.622454 -0.912066 -0.805261
H -10.279706 0.952741 0.829008
H -10.275887 0.889428 -0.955447
H -11.118432 -0.378631 -0.018914
H 9.697725 0.982657 0.026662


