%chk=000127019.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127019

0 1
 O  -0.8705000       2.383100      -1.224800    
 O   -1.185200       2.702700       1.065100    
 O   -5.871900      -2.254600       1.186400    
 O   -5.709400      -2.688400      -1.038800    
 C    3.192400     -0.6541000      -1.698700    
 C    4.128500      -1.061000       1.186700    
 C    4.637700      -1.028600      -1.301900    
 C    4.682900      -1.846700     -2.2399999E-02
 C    2.389200     -0.1456000     -0.4946000    
 C    2.818500     -0.3411000      0.8414000    
 C    3.308100      0.4176000      -2.808800    
 C    2.473000      -1.887500      -2.288500    
 C    3.937400      -2.090800       2.325800    
 C    5.163000     -1.1400000E-02   1.650100    
 C    1.157000      0.5091000     -0.7175000    
 C    2.025300      0.1817000       1.887500    
 C   0.3844000      0.9979000      0.3341000    
 C  -0.9426000       1.700100      4.9600001E-02
 C   0.8234000      0.8415000       1.638300    
 C   -2.097200      0.6996000      2.6100000E-02
 C  -0.7732000       3.771300     -0.9177000    
 C   -1.542200       3.890300      0.3627000    
 C   -2.460200      7.5499997E-02  -1.169900    
 C   -2.794000      0.4038000       1.200200    
 C   -3.513600     -0.8388000      -1.191700    
 C   -3.847300     -0.5105000       1.178600    
 C   -4.207000      -1.131700     -1.7500000E-02
 C   -5.306500      -2.083500     -3.9999999E-02
 H    5.244600     -0.1233000      -1.174200    
 H    5.116600      -1.596500      -2.110200    
 H    4.115600      -2.774900     -0.1664000    
 H    5.717800      -2.157300      0.1709000    
 H    2.344100      0.6459000      -3.275400    
 H    3.713900       1.356000      -2.412400    
 H    3.973100      7.8699999E-02  -3.612200    
 H    3.049200      -2.324900      -3.111800    
 H    2.314900      -2.668600      -1.536900    
 H    1.485600      -1.625600      -2.686800    
 H    3.690500      -1.618000       3.282200    
 H    3.133500      -2.798100       2.089500    
 H    4.854700      -2.669200       2.488600    
 H    4.848400      0.4818000       2.577400    
 H    6.137000     -0.4751000       1.843700    
 H    5.309100      0.7777000      0.9044000    
 H   0.7916000      0.6190000      -1.735300    
 H    2.339700      8.4100001E-02   2.923500    
 H   0.2473000       1.209900       2.482200    
 H   -1.181700       4.377700      -1.729600    
 H   0.2853000       4.016700     -0.7790000    
 H   -1.284200       4.777800      0.9453000    
 H   -2.623600       3.872100      0.1890000    
 H   -1.930300      0.2791000      -2.096300    
 H   -2.527600      0.8678000       2.146000    
 H   -3.777200      -1.313500      -2.133200    
 H   -4.359000     -0.7105000       2.115800    
 H   -6.611700      -2.898400       1.160700    


%chk=000127019-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127019

0 1
O -0.959292 2.507556 -1.174248
O -1.362147 2.686613 1.149378
O -5.655689 -2.837369 0.825417
O -5.964454 -2.458673 -1.443588
C 3.039366 -0.820345 -1.657729
C 4.174019 -0.911239 1.244852
C 4.516052 -1.145545 -1.293819
C 4.651714 -1.822339 0.078906
C 2.316197 -0.181555 -0.449487
C 2.834961 -0.228935 0.882855
C 3.054929 0.143601 -2.879039
C 2.289085 -2.125427 -2.064581
C 4.024984 -1.804003 2.510990
C 5.242551 0.187411 1.534003
C 1.066852 0.454204 -0.669303
C 2.096429 0.408034 1.916255
C 0.338562 1.069761 0.369667
C -1.021363 1.713311 0.062847
C 0.867372 1.050708 1.679686
C -2.154699 0.698041 -0.062540
C -0.465531 3.832440 -0.741708
C -1.226048 4.052313 0.581574
C -2.797293 0.465504 -1.302216
C -2.558786 -0.027186 1.086512
C -3.835907 -0.481238 -1.391812
C -3.600408 -0.968749 1.002323
C -4.244069 -1.203642 -0.241408
C -5.344205 -2.190250 -0.384841
H 5.107094 -0.207912 -1.307092
H 4.940249 -1.795676 -2.084111
H 4.063324 -2.761320 0.089871
H 5.705899 -2.109208 0.262735
H 2.045516 0.317640 -3.292000
H 3.486929 1.123949 -2.606037
H 3.672209 -0.291482 -3.687913
H 2.763768 -2.580033 -2.955095
H 2.296491 -2.870489 -1.249301
H 1.232563 -1.912627 -2.308697
H 3.827567 -1.213675 3.423498
H 3.201793 -2.531448 2.388855
H 4.961778 -2.368642 2.679402
H 4.909911 0.858743 2.346411
H 6.197518 -0.279155 1.842383
H 5.434218 0.813217 0.644094
H 0.648596 0.490419 -1.680955
H 2.491601 0.397550 2.938204
H 0.322590 1.547228 2.488489
H -0.723277 4.546666 -1.537695
H 0.630172 3.799646 -0.587070
H -0.674549 4.673016 1.307900
H -2.235730 4.468577 0.410515
H -2.486076 1.038561 -2.179326
H -2.060818 0.155118 2.043889
H -4.345703 -0.674431 -2.341398
H -3.923163 -1.527855 1.884681
H -6.396454 -3.479076 0.656117


