%chk=000179828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179828

0 1
I -0.867479 -2.957154 -1.309497
O 1.560894 2.711956 -0.592618
O -0.881998 1.420906 1.470170
O -3.077966 -3.379045 0.869015
N 1.981448 -1.611785 1.046375
N -1.215828 2.707963 -0.394067
C 3.000728 0.130920 -0.052516
C -3.493370 1.924377 -1.066022
C 1.645192 0.511149 0.288395
C 3.192750 -1.205890 0.425671
C -2.668734 2.874436 -0.172907
C -3.422573 0.508181 -0.568821
C 1.060992 -0.579654 0.950725
C 1.041030 1.783300 -0.008348
C 4.055498 0.788099 -0.707320
C 4.407578 -1.890253 0.260225
C -0.442246 1.937149 0.455548
C -2.439171 -0.363700 -1.062844
C -4.315848 0.060601 0.420569
C 5.253971 0.109735 -0.869503
C 5.427889 -1.213192 -0.392133
C -2.344763 -1.661984 -0.568395
C -4.236535 -1.238383 0.918390
C -3.238158 -2.093622 0.420222
H -4.545987 2.274831 -1.090580
H -3.146515 1.987901 -2.117893
H -2.945650 3.931010 -0.381019
H -2.897486 2.676394 0.904459
H 0.053684 -0.645665 1.359628
H 1.808372 -2.522724 1.433104
H -0.806415 3.161710 -1.207780
H 3.908716 1.808132 -1.067765
H 4.538966 -2.902249 0.628257
H -1.743144 -0.018144 -1.831439
H -5.076967 0.737500 0.810832
H 6.088048 0.596468 -1.373481
H 6.389197 -1.701973 -0.544804
H -4.926275 -1.579502 1.684424
H -3.750745 -3.615599 1.559843


%chk=000179828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179828

0 1
I -2.217849 -2.948877 -2.723901
O 1.151275 1.714751 -1.320640
O -0.688476 1.178268 1.736395
O -4.044227 -3.579051 -0.166587
N 3.000991 -0.867254 2.091587
N -1.184013 2.319512 -0.249508
C 3.269729 0.043284 0.008884
C -3.641369 2.149433 -0.776994
C 1.957084 0.422897 0.533834
C 3.903380 -0.766063 1.008628
C -2.526722 2.762296 0.123573
C -3.778134 0.643389 -0.623335
C 1.845506 -0.164038 1.814857
C 0.970147 1.235820 -0.145087
C 3.957984 0.310185 -1.200293
C 5.190947 -1.314662 0.847035
C -0.379788 1.558117 0.561893
C -3.124252 -0.243000 -1.516738
C -4.531918 0.087462 0.439800
C 5.248383 -0.234210 -1.372895
C 5.858026 -1.035139 -0.365251
C -3.218774 -1.640737 -1.353917
C -4.632014 -1.306953 0.608298
C -3.974080 -2.186134 -0.288315
H -4.591430 2.648876 -0.504035
H -3.434529 2.412960 -1.832103
H -2.582966 3.867260 0.062627
H -2.679412 2.466643 1.176432
H 1.004094 -0.097190 2.500698
H 3.173897 -1.388236 2.949957
H -0.775131 2.550786 -1.164969
H 3.483813 0.923403 -1.970523
H 5.660414 -1.931624 1.620978
H -2.536493 0.159912 -2.348136
H -5.046231 0.749532 1.146315
H 5.795877 -0.039490 -2.301607
H 6.861181 -1.441998 -0.533588
H -5.222083 -1.720917 1.436509
H -4.591736 -3.837015 0.616218


