%chk=000198105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198105

0 1
O 4.955542 -0.416621 -0.833411
O 4.102995 -1.889836 0.606185
C -2.526635 -0.478864 0.255202
C -2.963149 -0.624485 -1.218146
C -3.273579 0.689773 0.932571
C -4.482543 -0.813759 -1.319414
C -4.792507 0.498094 0.828012
C -1.027198 -0.289679 0.355056
C -5.235493 0.334975 -0.633074
C 0.971013 0.969970 -0.122440
C 3.199611 0.392744 0.589207
C 1.738723 0.008579 0.575012
C 1.839743 2.066643 -0.669560
C 3.289023 1.654394 -0.314786
C -0.404559 0.830432 -0.234104
C -0.256786 -1.241225 1.037032
C 1.134624 -1.099408 1.151681
C 4.070694 -0.764686 0.164002
H -2.813933 -1.420998 0.789438
H -2.439568 -1.482062 -1.679869
H -2.657146 0.267640 -1.796143
H -2.984020 1.649289 0.464493
H -2.969803 0.762780 1.993167
H -4.772807 -1.778434 -0.860701
H -4.781813 -0.878903 -2.382098
H -5.311343 1.361169 1.285121
H -5.100885 -0.389045 1.413801
H -5.058787 1.278510 -1.184019
H -6.324935 0.152113 -0.678627
H 3.504689 0.655362 1.637618
H 1.709332 2.179164 -1.761227
H 1.577335 3.042979 -0.222575
H 3.867302 1.442436 -1.234345
H 3.821260 2.466177 0.205497
H -0.997423 1.568082 -0.768493
H -0.736494 -2.109332 1.485950
H 1.730778 -1.852040 1.670119
H 5.533144 -1.178828 -1.108730


%chk=000198105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198105

0 1
O 4.611719 -0.865106 -0.963771
O 4.559657 -1.494234 1.264646
C -2.516628 -0.465708 0.208051
C -2.984842 -0.578722 -1.273018
C -3.320541 0.652348 0.934731
C -4.510125 -0.816728 -1.371654
C -4.845802 0.414637 0.836889
C -1.007114 -0.265243 0.325703
C -5.305414 0.287456 -0.635121
C 1.015814 1.058878 -0.086256
C 3.278576 0.490704 0.572145
C 1.799020 0.065268 0.552668
C 1.890908 2.221898 -0.532739
C 3.331163 1.623758 -0.499024
C -0.377574 0.897885 -0.198784
C -0.202120 -1.243191 0.967131
C 1.199826 -1.087372 1.090996
C 4.203897 -0.695889 0.367155
H -2.770473 -1.426394 0.705623
H -2.432405 -1.396308 -1.775216
H -2.724170 0.357283 -1.808965
H -3.074175 1.633425 0.478492
H -3.004898 0.706466 1.994619
H -4.754472 -1.801753 -0.921676
H -4.816587 -0.866886 -2.434751
H -5.389413 1.238177 1.339772
H -5.105186 -0.518082 1.380115
H -5.148202 1.257147 -1.152309
H -6.390915 0.072966 -0.680703
H 3.520982 0.885121 1.579688
H 1.622363 2.610286 -1.531659
H 1.795720 3.067235 0.178986
H 3.574035 1.177196 -1.477294
H 4.102502 2.377915 -0.266915
H -0.979164 1.669950 -0.694720
H -0.683250 -2.140911 1.374702
H 1.804714 -1.850639 1.593705
H 5.166974 -1.689733 -1.023838


