%chk=000180397.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180397

0 1
O -1.063095 -0.103766 0.210246
O -7.096926 0.558763 -0.541825
N -4.999869 0.704890 0.533668
C 5.332163 -0.316714 -0.200030
C 4.526200 -0.201882 1.116317
C 6.801688 -0.662793 0.120532
C 5.197061 0.955657 -1.062103
C 3.043543 -0.215692 0.870712
C 7.595397 -1.058617 -1.122101
C 5.796795 2.213965 -0.439972
C 2.314774 0.990014 0.843265
C 2.372900 -1.427046 0.663939
C 0.943837 0.987338 0.618402
C 0.991973 -1.459026 0.434993
C 0.293634 -0.247890 0.416311
C -1.849146 -1.313891 -0.027482
C -3.251869 -0.817098 -0.188244
C -4.112381 -1.377865 -1.151628
C -3.731300 0.225414 0.626092
C -5.415827 -0.915743 -1.268882
C -5.812172 0.130549 -0.400146
C -7.542905 1.642911 0.327516
H 4.899887 -1.163215 -0.792318
H 4.825640 0.719025 1.656037
H 4.799053 -1.034727 1.795899
H 7.290578 0.196372 0.619395
H 6.834167 -1.493289 0.853041
H 5.671124 0.771990 -2.046702
H 4.121725 1.126800 -1.274768
H 7.144124 -1.914955 -1.635503
H 7.649907 -0.234904 -1.843938
H 8.623348 -1.334854 -0.862409
H 5.625831 3.087848 -1.078233
H 6.879528 2.115808 -0.298765
H 5.356013 2.429510 0.539984
H 2.832719 1.937031 0.996872
H 2.928631 -2.364317 0.679521
H 0.365092 1.907503 0.592105
H 0.496059 -2.409600 0.278807
H -1.460056 -1.810580 -0.934223
H -1.744766 -1.975813 0.853155
H -3.758132 -2.176177 -1.805280
H -3.081247 0.705212 1.371916
H -6.118111 -1.318989 -1.992359
H -7.479913 1.329999 1.374328
H -6.934308 2.535470 0.151251
H -8.578168 1.775473 -0.003996


%chk=000180397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180397

0 1
O -1.092824 0.075408 0.255411
O -7.360633 0.364581 -0.422857
N -5.161952 0.836238 0.327933
C 5.445912 -0.401106 -0.203570
C 4.609498 -0.339186 1.116760
C 6.925207 -0.738495 0.129172
C 5.282868 0.879215 -1.072268
C 3.105708 -0.255077 0.899906
C 7.829804 -0.935463 -1.106484
C 5.882333 2.171568 -0.470398
C 2.395771 0.965140 1.063103
C 2.364184 -1.396823 0.508470
C 1.007427 1.045712 0.843055
C 0.970196 -1.340344 0.280909
C 0.290041 -0.109301 0.450277
C -1.882158 -1.100134 -0.126440
C -3.337175 -0.694282 -0.233940
C -4.256145 -1.513119 -0.948183
C -3.844665 0.469720 0.381504
C -5.612550 -1.159760 -1.012928
C -6.014392 0.031788 -0.350020
C -7.771730 1.608325 0.260280
H 5.040650 -1.246339 -0.803243
H 4.952028 0.522263 1.722281
H 4.847971 -1.247870 1.706076
H 7.349545 0.056151 0.776144
H 6.940824 -1.666499 0.737474
H 5.743428 0.699062 -2.063433
H 4.203090 1.035614 -1.262048
H 7.414844 -1.706755 -1.783224
H 7.938051 -0.002469 -1.688925
H 8.843549 -1.260285 -0.807363
H 5.695892 3.031613 -1.139512
H 6.975883 2.091094 -0.329255
H 5.434622 2.414316 0.511030
H 2.939752 1.866413 1.371243
H 2.882209 -2.356274 0.383951
H 0.462196 1.986038 0.970559
H 0.438849 -2.248793 -0.018220
H -1.519398 -1.503031 -1.096056
H -1.752889 -1.893247 0.642523
H -3.909446 -2.422760 -1.453554
H -3.174228 1.140315 0.924917
H -6.350387 -1.758331 -1.551978
H -7.557575 1.548533 1.340977
H -7.237642 2.478001 -0.158907
H -8.853340 1.676732 0.072247


