%chk=000040973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040973

0 1
 O    4.415300      0.5444000      0.1100000    
 C    1.957300      0.2701000      0.2396000    
 C    1.095700      -1.008000      8.8500001E-02
 C  -0.3294000     -0.8490000      0.6501000    
 C   -1.038400      0.3204000     -0.1163000    
 C    3.314200     -0.2373000     -0.3329000    
 C    1.996400      -2.109700      0.6389000    
 C    1.254900       1.418200     -0.5177000    
 C    3.425800      -1.669300      0.2553000    
 C   -2.553300      0.4575000      0.2548000    
 C   -1.118200      -2.157800      0.5264000    
 C  -0.1661000       1.582600      1.1500000E-02
 C    2.156100      0.7097000       1.723600    
 C   -2.532200      -1.987700       1.060300    
 C   -3.253800     -0.8957000      0.3215000    
 C   -3.268800       1.402800     -0.7474000    
 C    2.975200       1.970200       1.787100    
 C    3.351500     -0.2951000      -1.807300    
 C   -4.785800       1.335600     -0.6136000    
 C   -4.464000      -1.122800     -0.2206000    
 C  -0.5258000       2.738200      0.5936000    
 C   -5.288400     -7.4400000E-02 -0.8991000    
 C    3.381700     -0.3427000      -3.006300    
 H   0.9736000      -1.226400     -0.9848000    
 H  -0.2821000     -0.6000000       1.717900    
 H   -1.019700      5.3399999E-02  -1.185300    
 H    1.755800      -3.085800      0.2051000    
 H    1.903500      -2.200600       1.726800    
 H    1.154700       1.163900      -1.581500    
 H    1.801600       2.362600     -0.5264000    
 H   -2.634600      0.8897000       1.261800    
 H    4.067600      -1.688600       1.144600    
 H    3.863700      -2.378100     -0.4580000    
 H  -0.6219000      -2.952400       1.095500    
 H   -1.149200      -2.485800     -0.5207000    
 H    2.641300     -6.7000002E-02   2.324700    
 H    1.195600      0.8956000       2.214600    
 H   -2.500800      -1.735000       2.127500    
 H   -3.060800      -2.945100      0.9800000    
 H   -2.992200       1.139400      -1.777100    
 H   -2.956900       2.440400     -0.5999000    
 H    3.981400       1.752200       2.165200    
 H    3.089700       2.566800      0.8845000    
 H    2.537100       2.639500       2.538500    
 H    4.415500       1.380300     -0.3874000    
 H   -5.257100       2.041500      -1.306800    
 H   -5.078300       1.639800      0.3995000    
 H   -4.907900      -2.113000     -0.1558000    
 H   -1.499500       2.891000       1.041200    
 H   0.1698000       3.568700      0.6628000    
 H   -5.278500     -0.2663000      -1.978500    
 H   -6.329500     -0.1568000     -0.5670000    
 H    3.407700     -0.3848000      -4.070000    


%chk=000040973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040973

0 1
O 4.572376 0.452388 -0.001929
C 1.991656 0.282964 0.243213
C 1.119580 -1.015906 0.128360
C -0.315449 -0.862672 0.674151
C -1.021790 0.293781 -0.126601
C 3.339856 -0.273160 -0.393869
C 2.035512 -2.132466 0.691966
C 1.258512 1.412963 -0.532621
C 3.467170 -1.710708 0.231425
C -2.539280 0.474767 0.207037
C -1.119191 -2.176436 0.576348
C -0.167356 1.566625 0.000425
C 2.239235 0.676236 1.738770
C -2.559003 -1.966196 1.097061
C -3.272731 -0.869371 0.325425
C -3.231947 1.377604 -0.852570
C 2.833215 2.076475 2.014417
C 3.278591 -0.326583 -1.872549
C -4.766214 1.386293 -0.689728
C -4.509553 -1.079829 -0.206821
C -0.574807 2.725820 0.581697
C -5.334569 -0.030151 -0.927567
C 3.282330 -0.349591 -3.105887
H 1.009612 -1.215904 -0.962112
H -0.283097 -0.572871 1.746002
H -0.972361 -0.022768 -1.195770
H 1.755019 -3.128006 0.307205
H 1.967253 -2.175634 1.795156
H 1.221685 1.133701 -1.605302
H 1.798743 2.374429 -0.463841
H -2.603729 0.972392 1.202215
H 4.175611 -1.638640 1.074610
H 3.895377 -2.414974 -0.500174
H -0.616107 -2.968134 1.164729
H -1.149927 -2.520662 -0.478415
H 2.908778 -0.072272 2.200591
H 1.274520 0.609318 2.275791
H -2.497076 -1.686701 2.171923
H -3.137543 -2.907537 1.043192
H -2.982269 0.985918 -1.860984
H -2.830802 2.404172 -0.805714
H 3.812289 2.203730 1.524465
H 2.158666 2.885823 1.685808
H 2.987145 2.203763 3.102634
H 4.646300 1.272958 -0.554199
H -5.225188 2.109372 -1.390881
H -5.025414 1.719443 0.335449
H -4.964457 -2.075838 -0.093620
H -1.579388 2.865638 0.993213
H 0.101401 3.585343 0.663765
H -5.356487 -0.250579 -2.016922
H -6.388488 -0.088107 -0.588065
H 3.283291 -0.380919 -4.179902


