%chk=000205569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205569

0 1
O 0.352566 0.390091 -2.866245
O -4.813671 0.231132 2.081917
O -5.459004 0.564380 -0.375506
N 3.066295 -0.422828 -0.717371
N 0.265432 -0.546944 -0.756091
C 5.275334 0.264758 1.081469
C 4.040795 1.161457 0.929803
C 4.911828 -1.188945 0.756374
C 3.419677 1.016129 -0.468330
C 4.278946 -1.304990 -0.640215
C 2.389263 -0.571363 -2.041384
C 0.915488 -0.166998 -1.940331
C -1.095364 -0.255870 -0.374678
C -1.344241 -0.320369 0.969203
C -2.033688 0.031387 -1.443422
C -2.574691 -0.151181 1.670255
C -3.355164 0.278098 -1.380130
C -3.800157 0.123643 1.161645
C -4.259685 0.335152 -0.241066
H 6.085924 0.614688 0.414269
H 5.674422 0.336608 2.110556
H 3.289345 0.896380 1.699985
H 4.306486 2.220121 1.107722
H 5.808466 -1.833697 0.810177
H 4.204183 -1.575208 1.517082
H 2.483632 1.613995 -0.527149
H 4.112319 1.425150 -1.235461
H 5.033818 -1.062770 -1.419077
H 3.952501 -2.353438 -0.813826
H 2.850615 0.025230 -2.863017
H 2.427169 -1.633496 -2.378578
H 0.864820 -0.926560 -0.003974
H -0.496636 -0.535238 1.640898
H -1.582892 0.054349 -2.462380
H -2.512497 -0.258181 2.765780
H -3.888566 0.476829 -2.327662
H -5.694665 0.436397 1.612059


%chk=000205569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205569

0 1
O 0.307247 -0.030462 -3.322226
O -4.564928 0.103968 2.264199
O -5.440471 0.451144 -0.077896
N 3.033662 -0.367927 -0.860106
N 0.396155 -0.293706 -0.959527
C 4.975468 0.200201 1.279949
C 3.853905 1.197855 0.910322
C 4.550909 -1.241881 0.918808
C 3.443224 1.038819 -0.566528
C 4.126988 -1.337516 -0.560535
C 2.455072 -0.508518 -2.218899
C 0.930600 -0.235271 -2.238063
C -0.936785 -0.148084 -0.494722
C -1.094275 -0.259807 0.904573
C -1.981600 0.091134 -1.455559
C -2.264259 -0.169852 1.696327
C -3.347995 0.266246 -1.256241
C -3.584825 0.056480 1.299969
C -4.149272 0.265881 -0.055315
H 5.898812 0.462239 0.723272
H 5.217925 0.272805 2.356415
H 2.969550 1.018930 1.553718
H 4.182391 2.239509 1.086127
H 5.378083 -1.952034 1.107167
H 3.697927 -1.548453 1.555696
H 2.593405 1.704848 -0.806043
H 4.295891 1.337814 -1.224848
H 5.015270 -1.146273 -1.212189
H 3.758674 -2.354724 -0.789200
H 2.921282 0.160708 -2.972907
H 2.599410 -1.545645 -2.576767
H 1.170524 -0.455916 -0.276893
H -0.172135 -0.446989 1.473692
H -1.635795 0.140797 -2.494639
H -2.130672 -0.292768 2.778294
H -3.950800 0.437143 -2.158045
H -5.420161 0.277202 1.721922


