%chk=000182678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182678

0 1
O 4.046648 0.783685 0.021103
O 3.581797 -1.411958 0.634167
O 1.454934 2.586248 0.313701
O -1.010184 -0.617714 0.263254
O -0.303090 2.985815 -1.057030
O -1.813989 -4.537218 -0.704021
C 1.821719 0.286456 0.814242
C 1.720318 1.307860 -0.334798
C 3.135460 1.358991 -0.995507
C 3.356099 0.030535 0.972990
C 1.298752 -1.061435 0.438808
C 2.377785 -1.980282 0.340459
C 3.200631 0.461962 -2.220648
C 3.677843 2.754645 -1.231886
C 0.019724 -1.541528 0.178566
C 2.212089 -3.327534 -0.000510
C -0.191147 -2.893842 -0.160836
C 0.913388 -3.766855 -0.243654
C 0.393627 3.346101 -0.137809
C -1.562472 -3.381532 -0.427018
C -2.312480 -1.061168 -0.008792
C -2.595055 -2.334705 -0.330034
C 0.311886 4.581735 0.684212
C -3.233925 0.080560 0.114140
C -4.474871 -0.097027 0.750146
C -2.883390 1.333715 -0.411710
C -5.360821 0.977186 0.848844
C -3.778238 2.402309 -0.310352
C -5.014895 2.225377 0.317180
H 1.352358 0.685063 1.740560
H 0.906400 1.083838 -1.058537
H 3.858916 0.152875 1.942142
H 2.623159 0.862792 -3.060646
H 4.241296 0.343993 -2.557363
H 2.835604 -0.552422 -2.008214
H 4.753227 2.719690 -1.458572
H 3.171813 3.252665 -2.065859
H 3.562510 3.383112 -0.336638
H 3.069064 -3.992998 -0.064647
H 0.722279 -4.814537 -0.509122
H -3.612931 -2.659765 -0.553206
H 1.141936 4.667384 1.405123
H -0.628856 4.606144 1.259105
H 0.324733 5.480042 0.045939
H -4.742710 -1.068860 1.166124
H -1.912345 1.476046 -0.900364
H -6.324068 0.842464 1.339394
H -3.506600 3.371609 -0.728492
H -5.712330 3.059183 0.392166


%chk=000182678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182678

0 1
O 4.079567 0.878754 -0.062246
O 3.683022 -1.421620 0.676310
O 1.632366 2.680602 0.485967
O -0.971882 -0.623554 0.241599
O -0.214446 3.321825 -0.793949
O -1.805842 -4.652934 -0.555213
C 1.894072 0.284977 0.820346
C 1.741504 1.391628 -0.256685
C 3.063049 1.357630 -1.080021
C 3.446569 0.066386 0.922629
C 1.375098 -1.088760 0.448439
C 2.445560 -2.006832 0.401006
C 2.970072 0.352022 -2.246724
C 3.563893 2.725407 -1.554866
C 0.077104 -1.562779 0.199647
C 2.269821 -3.380794 0.117825
C -0.153132 -2.940528 -0.075780
C 0.957971 -3.827701 -0.112826
C 0.607652 3.563571 0.119541
C -1.535791 -3.428314 -0.312457
C -2.293767 -1.062763 0.005536
C -2.567168 -2.387026 -0.257347
C 0.627932 4.789890 1.002197
C -3.270148 0.044580 0.054754
C -4.636938 -0.217448 0.351319
C -2.864122 1.380440 -0.213129
C -5.575934 0.832912 0.369936
C -3.808921 2.427571 -0.194666
C -5.166917 2.160220 0.095408
H 1.460323 0.648471 1.766441
H 0.847064 1.274545 -0.889503
H 3.929492 0.260953 1.890343
H 2.336650 0.763698 -3.053209
H 3.980626 0.173462 -2.650877
H 2.547555 -0.618155 -1.938085
H 4.509826 2.599284 -2.108322
H 2.825614 3.194025 -2.229729
H 3.743286 3.392327 -0.697727
H 3.127676 -4.056738 0.089717
H 0.744216 -4.879562 -0.329348
H -3.593616 -2.692385 -0.473107
H 1.659823 5.069192 1.265772
H 0.087176 4.572277 1.941667
H 0.119093 5.622127 0.493752
H -4.959568 -1.236384 0.590736
H -1.822079 1.602588 -0.456413
H -6.623998 0.619140 0.605952
H -3.478485 3.447521 -0.417832
H -5.899321 2.974948 0.109319


