%chk=000277123.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277123

0 1
I -2.165384 -3.554627 -1.095829
O -3.075630 -0.264894 -0.087674
O 0.534850 0.058012 -0.015485
O -4.761266 1.236872 -0.033009
O 1.433822 1.223343 1.696609
C -0.813280 0.420012 0.425736
C -1.118200 1.847913 -0.033430
C -1.698742 -0.617181 -0.319368
C -2.607447 2.146881 0.125747
C -3.452188 1.065094 -0.550518
C -1.561049 -2.004787 0.275751
C 1.607037 0.524101 0.724927
C -5.737867 0.296027 -0.539897
C 2.880472 0.039994 0.146386
C 4.078944 0.447344 0.756302
C 2.906201 -0.802839 -0.975083
C 5.299959 0.009456 0.240327
C 4.132124 -1.236741 -1.484815
C 5.326229 -0.831327 -0.878420
H -0.868647 0.318929 1.530584
H -0.792389 1.989337 -1.082788
H -0.515664 2.564970 0.564624
H -1.487183 -0.588741 -1.412853
H -2.885331 2.196669 1.202199
H -2.859892 3.142052 -0.287262
H -3.435380 1.059943 -1.655680
H -2.202339 -2.115535 1.170022
H -0.517883 -2.229582 0.552371
H -5.403582 -0.730892 -0.350866
H -5.910596 0.473008 -1.603977
H -6.625860 0.536588 0.055610
H 4.044720 1.103354 1.630626
H 1.967297 -1.113884 -1.441248
H 6.231835 0.322442 0.709840
H 4.156994 -1.891958 -2.354796
H 6.281614 -1.172152 -1.278762


%chk=000277123-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277123

0 1
I -2.753886 -3.572653 -0.718802
O -3.147875 -0.255251 0.173454
O 0.552437 0.011181 -0.107278
O -4.884788 1.327561 -0.028596
O 1.475594 1.114955 1.731035
C -0.808092 0.401834 0.366252
C -1.151563 1.818296 -0.138291
C -1.790759 -0.642636 -0.227645
C -2.634388 2.160950 0.142249
C -3.542172 1.061537 -0.413559
C -1.529337 -2.042519 0.311527
C 1.633170 0.445801 0.680271
C -5.863505 0.372522 -0.581476
C 2.944522 0.012945 0.120980
C 4.118595 0.362681 0.838742
C 3.045666 -0.724201 -1.088078
C 5.383513 -0.024483 0.352625
C 4.314363 -1.108783 -1.570342
C 5.483543 -0.761101 -0.852281
H -0.824772 0.369248 1.471800
H -0.950105 1.857332 -1.227611
H -0.489611 2.552562 0.351281
H -1.689979 -0.625835 -1.336029
H -2.824588 2.233537 1.228336
H -2.899376 3.130581 -0.315442
H -3.443734 0.960218 -1.525283
H -1.806399 -2.126286 1.373132
H -0.487912 -2.350023 0.143110
H -5.673077 -0.644197 -0.198027
H -5.821344 0.365873 -1.690350
H -6.847795 0.733231 -0.247862
H 4.015137 0.933074 1.767702
H 2.135594 -0.985165 -1.635220
H 6.288296 0.244972 0.907726
H 4.393739 -1.678247 -2.502520
H 6.467187 -1.062310 -1.229625


