%chk=000179280.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179280

0 1
O 1.060980 -1.586126 -2.202623
O 0.201110 2.930166 -0.800245
O -1.561653 2.660024 0.583176
O -3.333576 -0.543531 1.568923
O -2.872709 -3.415846 0.012722
C -0.591298 0.722371 -0.563545
C -1.677028 -0.297713 -0.124426
C 0.858497 0.280869 -0.638735
C -1.605419 0.204651 -1.566238
C 1.074619 -1.255960 -0.801260
C 1.674097 0.647761 0.612365
C 2.916489 -0.286663 0.599342
C 2.453502 -1.556285 -0.169856
C -1.228343 -1.696443 0.102075
C -0.009960 -2.134474 -0.230145
C -0.743268 2.165837 -0.160048
C -2.825656 0.180615 0.743295
C 4.084790 0.388225 -0.136254
C 3.344145 -0.634388 2.030319
C -2.238143 -2.651591 0.699125
C 0.162893 4.360775 -0.533763
H 1.305278 0.790832 -1.533083
H -1.261676 -0.497241 -2.340042
H -2.381436 0.858182 -1.958837
H 1.959150 1.712593 0.612789
H 1.076341 0.487788 1.528046
H 2.400816 -2.427954 0.505692
H 3.178977 -1.854526 -0.945200
H 0.270041 -3.185789 -0.130812
H -3.165441 1.217054 0.574316
H 4.953009 -0.275853 -0.206878
H 3.808986 0.683638 -1.153274
H 4.416431 1.293033 0.385427
H 3.619557 0.263354 2.595132
H 2.543253 -1.134347 2.586531
H 4.213535 -1.301021 2.039554
H 1.842982 -1.222922 -2.661649
H -2.330345 -2.599399 1.796517
H -0.790020 4.771968 -0.881788
H 1.009484 4.730911 -1.121889
H 0.293808 4.540726 0.538048


%chk=000179280-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179280

0 1
O 0.875726 -1.693356 -2.343772
O 0.264073 3.003378 -0.748300
O -1.996892 2.682169 -0.312026
O -2.315437 0.525908 2.120167
O -3.165463 -2.310998 1.204560
C -0.567965 0.741585 -0.739932
C -1.591173 -0.239962 -0.067514
C 0.896312 0.310856 -0.772647
C -1.680392 0.045391 -1.569080
C 1.130392 -1.216900 -0.957261
C 1.653468 0.612259 0.553952
C 2.890920 -0.360745 0.606895
C 2.614071 -1.395287 -0.539120
C -1.036502 -1.585458 0.307196
C 0.182368 -2.040331 -0.111454
C -0.860496 2.203468 -0.552304
C -2.605117 0.346346 0.913454
C 4.210921 0.404839 0.337093
C 2.970314 -1.063046 1.985327
C -1.943921 -2.536807 0.995289
C 0.026346 4.465838 -0.635774
H 1.400121 0.833270 -1.610851
H -1.367387 -0.749221 -2.251381
H -2.497135 0.692138 -1.905619
H 1.961597 1.668874 0.606119
H 0.980929 0.420465 1.411419
H 2.837285 -2.434063 -0.235812
H 3.253194 -1.165960 -1.417175
H 0.486151 -3.071545 0.114222
H -3.602323 0.603956 0.496700
H 5.068455 -0.291083 0.263155
H 4.154948 0.977787 -0.608245
H 4.424708 1.120196 1.153068
H 3.060593 -0.318938 2.798732
H 2.060536 -1.660921 2.181007
H 3.845731 -1.737840 2.042694
H 1.616912 -1.369343 -2.919394
H -1.475362 -3.506460 1.294933
H -0.704828 4.790637 -1.394488
H 1.010811 4.922229 -0.808571
H -0.359690 4.709974 0.367540


