%chk=000264745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264745

0 1
O -0.232997 -1.067782 0.974141
O -2.515051 1.423139 0.937809
O -0.060677 2.417071 -0.130994
O -1.863367 -1.111184 -1.513216
O -2.653254 -3.163327 1.879271
O -1.250121 -3.638558 0.164244
O -3.218856 3.303511 -0.116471
O -0.287530 2.707809 -2.369690
O -3.732550 -2.352386 -1.792865
N 1.608567 0.253147 1.047494
N 3.652787 -0.262981 1.984941
N 2.386318 0.590115 -1.327398
N 4.801163 0.278111 -1.580376
N 6.225801 -0.261352 0.229116
C -1.955929 0.888744 -0.295930
C -0.421751 1.025768 -0.267951
C -2.353461 -0.601881 -0.253397
C 0.150759 0.341929 0.992876
C -1.652709 -1.297692 0.935673
C -1.764505 -2.824444 0.880648
C 2.545846 0.290996 0.000484
C 2.352668 -0.124383 2.229804
C 3.815683 -0.011248 0.609453
C -3.115994 2.679057 0.906804
C 0.022290 3.173447 -1.305799
C -2.641339 -2.043120 -2.201895
C 4.963211 -0.009941 -0.237588
C -3.560383 3.009189 2.285370
C 0.495022 4.532028 -0.938191
C -1.877868 -2.481225 -3.392628
C 3.544636 0.558862 -2.043415
C -3.001299 -4.570195 1.996851
H -2.386079 1.423547 -1.178523
H 0.006845 0.605426 -1.223725
H -3.461911 -0.739384 -0.188843
H -0.243244 0.811278 1.930819
H -2.097722 -0.906108 1.890123
H 1.854893 -0.259864 3.180507
H -3.428977 2.171980 2.989664
H -4.626331 3.292605 2.294463
H -2.994455 3.868717 2.681699
H 0.826028 4.597775 0.110592
H 1.339104 4.835969 -1.578753
H -0.310027 5.272752 -1.082372
H -1.117758 -1.741552 -3.702409
H -2.542951 -2.677745 -4.247264
H -1.328235 -3.415544 -3.170421
H 3.465748 0.784427 -3.121940
H -3.631000 -4.849351 1.145591
H -2.093103 -5.181112 2.029817
H -3.552842 -4.601829 2.942250
H 7.009978 -0.296475 -0.403444
H 6.366129 -0.532435 1.190589


%chk=000264745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000264745

0 1
O -0.084321 -1.205702 0.926043
O -2.428317 1.366253 1.076840
O 0.020708 2.400755 -0.036699
O -1.813428 -1.195225 -1.490798
O -3.014979 -3.132445 1.624354
O -1.132498 -3.779854 0.396844
O -2.941818 3.387912 0.014625
O -0.341849 2.694969 -2.326144
O -3.585700 -2.715197 -1.514609
N 1.726807 0.294131 1.044601
N 3.815374 0.251912 2.004082
N 2.402999 0.211064 -1.362874
N 4.847375 0.127331 -1.627781
N 6.335552 0.121391 0.208622
C -1.869022 0.812170 -0.192304
C -0.337034 0.976187 -0.198506
C -2.261881 -0.675505 -0.180081
C 0.280942 0.231789 1.002175
C -1.537534 -1.399654 0.989807
C -1.814021 -2.902305 0.958225
C 2.643763 0.230183 -0.020742
C 2.495488 0.296009 2.226294
C 3.922110 0.210553 0.598302
C -2.922016 2.688998 1.046950
C -0.034111 3.179732 -1.220984
C -2.555518 -2.255700 -2.053535
C 5.053058 0.152402 -0.267851
C -3.386804 3.096022 2.425685
C 0.284554 4.620012 -0.910237
C -1.901230 -2.722613 -3.326806
C 3.559754 0.159896 -2.088811
C -3.588374 -4.492689 1.458266
H -2.310578 1.340603 -1.053709
H 0.072136 0.586306 -1.148137
H -3.354193 -0.803880 -0.073623
H -0.113559 0.661024 1.947565
H -1.952787 -0.979076 1.928779
H 2.026660 0.326299 3.207960
H -3.905641 2.264507 2.928474
H -4.048254 3.971207 2.349083
H -2.510659 3.368089 3.042375
H 1.040405 4.698045 -0.113367
H 0.630311 5.129424 -1.821965
H -0.641261 5.113509 -0.560899
H -1.492838 -1.872302 -3.895024
H -2.622996 -3.287984 -3.934161
H -1.056257 -3.385289 -3.063976
H 3.444053 0.143706 -3.176358
H -3.882613 -4.626045 0.404052
H -2.848332 -5.257543 1.745581
H -4.463524 -4.512069 2.122059
H 7.106463 0.073116 -0.454203
H 6.504633 0.129870 1.212140


