%chk=000179810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179810

0 1
O 0.905139 -1.235671 -1.032556
O -1.272393 1.745077 0.338347
O 2.487999 -1.828193 0.478016
O -0.599010 -0.134411 1.405159
C -0.618901 -2.953773 -0.215213
C -2.013863 -2.733756 -0.810716
C 0.499345 -2.636968 -1.199478
C 2.059564 0.516173 0.003955
C 1.030699 1.382177 0.406188
C -3.112332 -3.110818 0.179753
C 1.871177 -0.964646 -0.097082
C -3.181542 0.719873 -0.723072
C -2.679100 1.396542 0.548042
C 3.326706 1.028509 -0.304062
C 1.272321 2.761556 0.482562
C -0.316428 0.860798 0.780270
C 3.562750 2.404085 -0.219421
C 2.536429 3.269615 0.170573
C -4.680704 0.461044 -0.650428
H -0.516879 -3.994678 0.148489
H -0.500680 -2.314120 0.693114
H -2.126244 -1.658631 -1.096724
H -2.131069 -3.316489 -1.743789
H 1.385085 -3.281616 -1.055121
H 0.186355 -2.641266 -2.257982
H -3.063408 -4.170042 0.456216
H -3.029528 -2.528549 1.106671
H -4.106738 -2.924166 -0.239358
H -2.933224 1.345461 -1.603688
H -2.630226 -0.243400 -0.877667
H -2.775026 0.757678 1.443944
H -3.131572 2.387850 0.724217
H 4.129492 0.350744 -0.602790
H 0.463084 3.433836 0.779683
H 4.550669 2.799809 -0.458172
H 2.720070 4.342635 0.231727
H -4.937751 -0.202903 0.184218
H -5.040193 -0.019930 -1.568613
H -5.251374 1.388763 -0.525910


%chk=000179810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179810

0 1
O 1.092652 -1.469500 -0.956576
O -1.382982 1.902806 0.325557
O 2.467067 -1.782472 0.910460
O -0.694230 -0.219663 1.011372
C -0.447587 -3.316765 -0.298882
C -1.718831 -2.798571 -1.005930
C 0.851215 -2.949331 -1.027523
C 2.031378 0.472125 0.079720
C 0.953383 1.395347 0.202475
C -2.994692 -3.044636 -0.174175
C 1.869372 -1.025731 0.110101
C -3.535370 1.028851 -0.572102
C -2.795046 1.553946 0.665489
C 3.348837 0.960550 -0.089252
C 1.211704 2.787049 0.102452
C -0.420172 0.913347 0.543805
C 3.597155 2.346964 -0.181495
C 2.523296 3.262658 -0.097260
C -5.020402 0.745455 -0.253464
H -0.488989 -4.422979 -0.215745
H -0.401508 -2.916608 0.730727
H -1.599362 -1.714604 -1.191423
H -1.814220 -3.285605 -1.998689
H 1.723452 -3.462235 -0.585310
H 0.791924 -3.150528 -2.110698
H -3.136072 -4.122163 0.035637
H -2.927954 -2.516579 0.795371
H -3.898381 -2.683442 -0.700427
H -3.454512 1.773484 -1.386065
H -3.042768 0.103483 -0.922453
H -2.790620 0.803912 1.476809
H -3.226898 2.503563 1.024360
H 4.174462 0.244757 -0.154231
H 0.373285 3.481253 0.200294
H 4.621879 2.708348 -0.318600
H 2.709169 4.339264 -0.170893
H -5.121524 -0.024191 0.534227
H -5.548416 0.378526 -1.151254
H -5.540999 1.658113 0.092890


