%chk=000281488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281488

0 1
O 3.538269 -0.699354 2.409324
O -1.804605 -3.575679 -0.072060
O -4.222386 2.993507 0.513494
O -3.917771 -3.227820 0.245312
O -5.609033 1.333184 0.604067
N 1.349672 0.164984 -0.140144
N 0.289882 1.032527 -0.333410
N -2.770092 -2.851973 0.091989
N -4.493717 1.804990 0.486952
C 3.674681 -0.512260 -0.069206
C 4.704860 -0.327994 -1.211425
C 5.234567 1.102938 -1.336542
C 2.586196 0.566969 -0.207564
C 4.083499 2.096827 -1.521101
C 3.074496 1.986854 -0.370075
C 4.371292 -0.325834 1.306568
C 3.106004 -1.934967 -0.150566
C -0.992881 0.486647 -0.051311
C -2.071176 1.373631 0.136382
C -1.225923 -0.910594 -0.063138
C -2.526782 -1.380873 0.106293
C -3.362125 0.853880 0.295958
C -3.619039 -0.517818 0.286303
H 4.230616 -0.629819 -2.168219
H 5.547111 -1.031489 -1.065437
H 5.929630 1.168097 -2.196941
H 5.836091 1.373106 -0.447562
H 3.571164 1.907306 -2.485847
H 4.474460 3.130554 -1.580076
H 2.245015 2.698558 -0.546563
H 3.550524 2.313753 0.580581
H 4.705178 0.714718 1.467270
H 5.237068 -1.007487 1.414634
H 3.901774 -2.687760 -0.149862
H 2.460882 -2.158876 0.711835
H 2.499068 -2.085022 -1.051053
H 2.623628 -0.375141 2.285062
H 0.413125 2.034648 -0.133703
H -1.925369 2.459726 0.153437
H -0.389445 -1.613875 -0.206674
H -4.638810 -0.911867 0.414918


%chk=000281488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281488

0 1
O 2.817840 -1.131375 2.037623
O -1.836257 -3.601675 0.537585
O -4.135208 3.168110 0.316215
O -4.044182 -3.148806 0.883731
O -5.629183 1.488975 0.702726
N 1.400380 0.039344 -0.142786
N 0.330370 0.928675 -0.161395
N -2.830033 -2.788471 0.646042
N -4.438234 1.923508 0.478601
C 3.736454 -0.555899 -0.255547
C 5.068968 -0.127211 -0.941022
C 5.371395 1.384308 -0.884726
C 2.609114 0.466026 -0.485052
C 4.238466 2.154055 -1.588808
C 2.881986 1.913033 -0.885643
C 3.970569 -0.631022 1.303452
C 3.341639 -1.967790 -0.768455
C -0.964079 0.462707 0.079855
C -2.031815 1.396151 0.159709
C -1.234162 -0.924067 0.240849
C -2.558072 -1.329232 0.483001
C -3.334617 0.925301 0.400093
C -3.643729 -0.437007 0.572149
H 5.028207 -0.431530 -2.006500
H 5.892898 -0.708393 -0.482855
H 6.336824 1.588959 -1.384278
H 5.475060 1.731324 0.162819
H 4.174891 1.815851 -2.641678
H 4.444766 3.240245 -1.611529
H 2.067148 2.275681 -1.548424
H 2.839440 2.541656 0.032760
H 4.271522 0.368114 1.688449
H 4.794642 -1.342098 1.497345
H 4.197069 -2.657600 -0.643745
H 2.488506 -2.381383 -0.208737
H 3.075470 -1.934171 -1.840001
H 1.992594 -0.846689 1.547551
H 0.471479 1.932596 -0.312411
H -1.873194 2.473075 0.043241
H -0.433177 -1.661583 0.171359
H -4.662155 -0.780791 0.760337


