%chk=000182537.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182537

0 1
O 5.162528 1.676913 -0.259575
O -2.416793 -2.400027 -0.078071
O -4.684817 -1.428926 0.330640
O -0.996200 1.445617 -0.680363
N -0.598731 -1.191833 -0.688405
C 1.289334 -2.394739 0.417062
C 0.259097 -2.400963 -0.726213
C 2.295763 -1.289211 0.268456
C 3.383408 -1.439365 -0.615367
C 2.160931 -0.103403 0.999091
C -1.919595 -1.272289 -0.304532
C -2.752421 -0.065130 -0.201685
C 4.320611 -0.426043 -0.765145
C 3.092634 0.933265 0.868254
C 4.164284 0.758151 -0.012761
C -4.134362 -0.234697 0.115716
C -2.327417 1.267906 -0.389057
C -5.014538 0.871879 0.224188
C -3.175512 2.370423 -0.286104
C -4.529937 2.150860 0.022306
C 5.144966 2.912500 0.493625
H 0.763194 -2.320649 1.392473
H 1.801367 -3.379391 0.446296
H 0.770418 -2.432398 -1.714581
H -0.382554 -3.314242 -0.654147
H -0.122468 -0.294458 -0.811588
H 3.492242 -2.361402 -1.186495
H 1.321379 0.021615 1.683857
H 5.168080 -0.522913 -1.439991
H 2.974821 1.841267 1.448544
H -6.058135 0.680244 0.465535
H -2.810595 3.378183 -0.439641
H -5.201364 3.009009 0.102670
H -3.978944 -2.233834 0.242354
H -0.757278 2.397044 -0.816010
H 6.043476 3.417972 0.115356
H 5.233746 2.707745 1.564415
H 4.244882 3.487420 0.260291


%chk=000182537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182537

0 1
O 5.082134 1.836029 -0.373350
O -2.579904 -2.499550 -0.114329
O -4.789995 -1.428611 0.199289
O -0.855891 1.341618 -0.618559
N -0.634471 -1.303063 -0.520757
C 1.344475 -2.487302 0.471919
C 0.204817 -2.506920 -0.586513
C 2.321662 -1.334140 0.288857
C 3.303222 -1.371314 -0.740940
C 2.273018 -0.184488 1.112191
C -1.979380 -1.352392 -0.282441
C -2.772997 -0.092708 -0.215085
C 4.199840 -0.306854 -0.938696
C 3.167990 0.898068 0.933200
C 4.136160 0.833987 -0.098185
C -4.193610 -0.206727 0.032002
C -2.245701 1.222677 -0.375680
C -5.011015 0.952551 0.108689
C -3.052434 2.373181 -0.300068
C -4.440321 2.223040 -0.056225
C 5.086801 3.015921 0.492972
H 0.886060 -2.449017 1.476984
H 1.878737 -3.454430 0.393649
H 0.644881 -2.589668 -1.600189
H -0.455049 -3.375220 -0.425212
H -0.207891 -0.373904 -0.635618
H 3.372247 -2.253540 -1.389813
H 1.529436 -0.131841 1.916682
H 4.961485 -0.336880 -1.723917
H 3.106508 1.763142 1.600821
H -6.078930 0.817073 0.296847
H -2.613613 3.369981 -0.430036
H -5.073976 3.114332 0.003092
H -4.022228 -2.145288 0.108814
H -0.584084 2.286237 -0.710068
H 5.900957 3.649624 0.111874
H 5.289310 2.741926 1.546817
H 4.127250 3.566568 0.432381


