%chk=000179474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179474

0 1
O 3.019907 1.361153 0.250596
O -1.739586 1.391886 -0.096813
O 1.040501 -2.713423 -0.343358
O 0.400749 2.796939 0.308824
O -2.014589 -2.658536 0.235957
C 1.867395 -0.639263 0.002562
C 3.307882 -1.057436 0.023705
C 1.795910 0.759803 0.144905
C 4.050261 0.282089 0.201153
C 0.705679 -1.416128 -0.141323
C -0.570380 -0.781833 -0.087290
C 0.568765 1.441385 0.110249
C -0.579828 0.634881 -0.032497
C -1.874831 -1.469513 0.008856
C -2.962226 0.733486 -0.194495
C -3.052829 -0.604165 -0.153953
C -4.026043 1.753952 -0.320811
C 0.086575 -3.713036 -0.787728
C 1.144459 3.619546 -0.633519
H 3.511042 -1.763151 0.851556
H 3.592523 -1.578510 -0.909484
H 4.584648 0.378413 1.157216
H 4.690007 0.562155 -0.647085
H -4.008767 -1.125096 -0.207463
H -3.617989 2.780824 -0.282747
H -4.763716 1.669161 0.494061
H -4.571251 1.653749 -1.272974
H 0.756390 -4.497856 -1.157727
H -0.560830 -3.323213 -1.575660
H -0.504141 -4.050760 0.077535
H 0.798923 3.433393 -1.652184
H 2.218435 3.428795 -0.528786
H 0.885254 4.630006 -0.299175


%chk=000179474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179474

0 1
O 3.028585 1.375994 0.072481
O -1.820906 1.406405 -0.145872
O 0.918164 -2.801021 -0.010487
O 0.391105 2.865354 -0.050006
O -2.053352 -2.710450 0.440257
C 1.823037 -0.635443 0.021652
C 3.278377 -1.072034 0.035620
C 1.762115 0.772438 0.019939
C 4.020361 0.262001 0.328777
C 0.666042 -1.426806 -0.021269
C -0.623370 -0.772629 -0.015133
C 0.544325 1.476644 -0.071543
C -0.625528 0.664002 -0.082758
C -1.928742 -1.461772 0.184080
C -3.051915 0.752559 -0.060259
C -3.118172 -0.604751 0.105695
C -4.192363 1.722312 -0.154817
C 0.228553 -3.693591 -0.970107
C 1.331084 3.653076 -0.878087
H 3.474984 -1.834123 0.807308
H 3.569753 -1.506573 -0.938704
H 4.321653 0.348920 1.387406
H 4.882301 0.457407 -0.327032
H -4.088090 -1.096746 0.207056
H -4.126523 2.478301 0.648359
H -5.155088 1.194657 -0.072231
H -4.162865 2.264678 -1.117349
H 0.853390 -4.599981 -0.998643
H 0.192846 -3.225317 -1.972482
H -0.787100 -3.912127 -0.606487
H 1.224714 3.380640 -1.945485
H 2.373324 3.498357 -0.552879
H 1.027601 4.699315 -0.724897


