%chk=000229104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229104

0 1
O -0.024726 -1.812319 0.416614
O 0.036477 1.807753 0.445855
O -0.192487 -2.250873 -1.813434
O 0.228845 2.283973 -1.774496
C -0.466520 -0.481402 0.279906
C 0.479944 0.479297 0.291959
C -1.929175 -0.314542 0.245193
C 1.942839 0.312638 0.268440
C -2.637908 -0.628950 -0.924490
C 2.662908 0.645527 -0.889108
C -2.607553 0.161636 1.377369
C 2.610198 -0.181999 1.399301
C -4.024749 -0.466278 -0.957109
C 4.049988 0.482880 -0.910965
C -3.995473 0.319170 1.336306
C 3.998387 -0.339380 1.369108
C -4.703757 0.005596 0.171457
C 4.717967 -0.007341 0.216332
C 0.101344 -2.626475 -0.710261
C -0.076562 2.641007 -0.668302
C 0.628398 -3.937692 -0.247319
C -0.607490 3.944748 -0.188894
H -2.097666 -0.996352 -1.803809
H 2.131306 1.027214 -1.767626
H -2.050840 0.408162 2.280699
H 2.044705 -0.442844 2.293116
H -4.576323 -0.707813 -1.864491
H 4.610310 0.738791 -1.809000
H -4.525355 0.685558 2.213608
H 4.519717 -0.720048 2.245454
H -5.785094 0.128758 0.143045
H 5.799504 -0.130422 0.196410
H 0.686557 -4.006114 0.851963
H 1.643384 -4.107785 -0.643113
H -0.007208 -4.763101 -0.605420
H -0.689306 3.990043 0.910084
H -1.612542 4.128744 -0.603311
H 0.039953 4.774236 -0.514973


%chk=000229104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229104

0 1
O -0.140523 -1.857961 0.221923
O 0.156809 1.856939 0.252403
O 0.508606 -1.816060 -2.044966
O -0.480795 1.849565 -2.018182
C -0.496843 -0.466257 0.254445
C 0.511888 0.464752 0.266657
C -1.953455 -0.223004 0.325829
C 1.967709 0.219882 0.348965
C -2.847889 -1.070788 -0.383284
C 2.869372 1.079285 -0.336597
C -2.493583 0.813654 1.139514
C 2.499457 -0.830276 1.150775
C -4.241664 -0.874290 -0.301010
C 4.262242 0.881335 -0.243210
C -3.888174 1.002727 1.223845
C 3.893141 -1.020689 1.246528
C -4.769606 0.163714 0.501634
C 4.781958 -0.169834 0.547559
C 0.405632 -2.431880 -0.974483
C -0.382546 2.449196 -0.938149
C 0.813272 -3.856313 -0.682579
C -0.789517 3.869746 -0.626947
H -2.446839 -1.871386 -1.012694
H 2.474760 1.890604 -0.956292
H -1.818070 1.450930 1.718715
H 1.817959 -1.477316 1.711851
H -4.916142 -1.528868 -0.863924
H 4.942447 1.545200 -0.788061
H -4.289537 1.796449 1.864098
H 4.287878 -1.825026 1.877592
H -5.852966 0.312813 0.568701
H 5.864579 -0.320058 0.623460
H 0.039087 -4.371271 -0.091132
H 1.742489 -3.849119 -0.083455
H 1.000046 -4.391108 -1.625061
H -0.014805 4.376180 -0.028784
H -1.718416 3.855117 -0.027535
H -0.975965 4.417415 -1.562050


