%chk=000184586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184586

0 1
O 3.192870 0.362647 -0.003299
O 2.583787 -2.115972 -0.171814
O -2.342135 1.727478 -0.898329
O -1.440108 2.585003 0.879487
O -3.023087 -0.606979 0.720641
O -2.457921 -2.251183 -0.573594
N -1.537124 1.743969 0.009209
N -2.231257 -1.223550 0.036426
C -0.509374 0.648212 0.019802
C -0.831778 -0.704196 -0.026301
C 1.853547 0.127653 -0.015628
C 0.833981 1.072123 0.039605
C 1.517442 -1.271227 -0.101474
C 0.191013 -1.675228 -0.102562
C 3.632444 1.745463 0.104999
H 1.056972 2.139945 0.110899
H -0.080487 -2.733896 -0.172708
H 4.725471 1.618617 0.106915
H 3.288090 2.184162 1.046221
H 3.306731 2.318584 -0.767690
H 2.297622 -3.069128 -0.245407


%chk=000184586-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184586

0 1
O 3.233473 0.367664 0.012199
O 2.586028 -2.202044 -0.233426
O -2.524949 1.579014 -0.806920
O -1.231908 2.832639 0.600609
O -3.031270 -0.587995 0.854936
O -2.508288 -2.324692 -0.537424
N -1.500220 1.749669 -0.050267
N -2.225383 -1.226383 0.082649
C -0.502412 0.653604 0.025802
C -0.842150 -0.714710 -0.054279
C 1.882214 0.084760 -0.015060
C 0.851150 1.045518 0.058336
C 1.533383 -1.302195 -0.142264
C 0.179290 -1.682357 -0.149945
C 3.637306 1.776040 0.166681
H 1.068446 2.113902 0.126953
H -0.114652 -2.735688 -0.216033
H 4.735170 1.750116 0.185314
H 3.251467 2.194981 1.114557
H 3.288378 2.382585 -0.689757
H 2.261625 -3.131930 -0.337261


