%chk=000115150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115150

0 1
O -4.577867 -1.693755 0.700944
O -4.277111 1.565511 -2.458984
O 4.587689 1.673396 0.704055
O 4.270952 -1.536472 -2.504490
N -1.794081 0.332289 -0.193501
N 1.799194 -0.338572 -0.207787
N -4.463817 -0.034074 -0.853679
N 4.465664 0.038123 -0.875615
C -0.398734 0.666067 0.249452
C 0.406058 -0.679237 0.236957
C -0.313894 1.450377 1.559283
C 0.327570 -1.483783 1.534902
C -2.667758 -0.223326 0.875653
C -2.465225 1.483881 -0.862795
C 2.678322 0.200487 0.865420
C 2.466971 -1.479584 -0.898299
C -3.956808 -0.751371 0.263749
C -3.778005 1.038050 -1.491440
C 3.964214 0.738115 0.255214
C 3.776579 -1.023938 -1.526553
H 0.048070 1.307563 -0.568269
H -0.044944 -1.307906 -0.588381
H 0.734744 1.710152 1.786036
H -0.700012 0.897028 2.421236
H -0.865871 2.395732 1.500206
H 0.879479 -2.427948 1.458650
H 0.717588 -0.943718 2.403503
H -0.719943 -1.747326 1.762530
H -2.927732 0.493738 1.687923
H -2.131322 -1.079018 1.368708
H -1.800766 1.856818 -1.682836
H -2.665189 2.356585 -0.199676
H 2.942452 -0.529068 1.665119
H 2.144430 1.048414 1.374416
H 1.798415 -1.839797 -1.720696
H 2.670290 -2.362485 -0.249857
H -5.341473 -0.364321 -1.281371
H 5.341273 0.374872 -1.302431


%chk=000115150-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115150

0 1
O -4.595599 -1.851007 0.014106
O -4.005955 2.017319 -2.486094
O 4.600261 1.843139 0.017538
O 4.001842 -1.990768 -2.533145
N -1.750319 0.407438 -0.122562
N 1.754776 -0.413820 -0.139323
N -4.226005 0.054385 -1.263431
N 4.226273 -0.044671 -1.284633
C -0.421222 0.654018 0.526725
C 0.429225 -0.671507 0.513368
C -0.535652 1.359890 1.905244
C 0.552355 -1.400163 1.879255
C -2.708991 -0.409464 0.644602
C -2.382978 1.614914 -0.685731
C 2.716384 0.392608 0.635410
C 2.385862 -1.613275 -0.721259
C -3.906911 -0.823152 -0.208882
C -3.580892 1.271157 -1.569027
C 3.911449 0.817822 -0.216452
C 3.579754 -1.256938 -1.604824
H 0.105343 1.330610 -0.173491
H -0.101090 -1.336630 -0.194927
H 0.459098 1.615099 2.312158
H -1.044778 0.731836 2.657674
H -1.098995 2.306741 1.812571
H 1.122144 -2.341143 1.768170
H 1.059244 -0.781641 2.641021
H -0.439334 -1.669611 2.284425
H -3.119114 0.105070 1.552107
H -2.234420 -1.341589 0.989019
H -1.660460 2.155074 -1.319693
H -2.750393 2.340639 0.086372
H 3.129580 -0.134362 1.534310
H 2.243076 1.320013 0.994023
H 1.661049 -2.145534 -1.359268
H 2.756807 -2.348916 0.039721
H -5.032287 -0.199470 -1.848532
H 5.030275 0.217390 -1.869248


