%chk=000291011.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291011

0 1
O 5.067634 -1.704925 0.372267
O 1.394299 3.003940 -0.849195
N 0.264351 1.086690 -0.347809
N -0.795112 0.281241 -0.065358
N -1.968801 0.729037 -0.206564
C 1.530559 0.381809 -0.130508
C 2.487373 0.935028 0.732318
C 1.769313 -0.837030 -0.797307
C 3.929862 -0.937273 0.271078
C 3.702069 0.275150 0.934484
C 2.969626 -1.504228 -0.595283
C 0.307704 2.471332 -0.807314
C -3.057597 -0.155387 0.131191
C -0.968263 3.131141 -1.192208
C -2.969996 -1.206752 1.060753
C -4.281037 0.145086 -0.498755
C -4.111674 -1.954885 1.356087
C -5.409826 -0.615809 -0.192673
C -5.328876 -1.663388 0.732262
C 6.140788 -1.217573 1.213980
H 2.296770 1.889171 1.227874
H 1.013503 -1.256213 -1.463162
H 4.445660 0.711642 1.593579
H 3.187597 -2.448381 -1.090697
H -1.662468 3.228513 -0.338184
H -0.777274 4.141597 -1.586351
H -1.523450 2.566546 -1.959928
H -2.020512 -1.434956 1.545525
H -4.339003 0.963917 -1.215098
H -4.050609 -2.770209 2.076423
H -6.359733 -0.391294 -0.676828
H -6.214921 -2.250906 0.966344
H 5.807610 -1.149363 2.253340
H 6.513487 -0.259932 0.838981
H 6.894548 -2.006937 1.093336


%chk=000291011-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291011

0 1
O 5.070288 -1.818215 0.565367
O 1.320140 2.905289 -1.318527
N 0.270011 1.084917 -0.306518
N -0.831107 0.278278 0.036844
N -1.975926 0.654713 -0.467928
C 1.526103 0.390751 -0.089718
C 2.643590 1.054162 0.462877
C 1.616467 -0.988251 -0.408375
C 3.929858 -1.024987 0.378331
C 3.846051 0.354953 0.693660
C 2.807681 -1.693292 -0.171595
C 0.253358 2.429361 -0.846123
C -3.073091 -0.177096 -0.061566
C -1.015124 3.254476 -0.750004
C -2.999337 -1.204429 0.922735
C -4.304796 0.090436 -0.714636
C -4.150223 -1.955061 1.228936
C -5.451943 -0.668418 -0.401129
C -5.378776 -1.693689 0.570691
C 6.264953 -1.168796 1.111381
H 2.587677 2.118201 0.703838
H 0.751780 -1.500246 -0.839513
H 4.699283 0.892526 1.116841
H 2.895049 -2.756499 -0.413297
H -1.565858 3.076004 0.187569
H -0.716892 4.312404 -0.831903
H -1.705155 3.001281 -1.570851
H -2.048143 -1.391401 1.430290
H -4.335724 0.889165 -1.463045
H -4.097189 -2.744829 1.986786
H -6.399008 -0.460180 -0.910446
H -6.269824 -2.280732 0.818923
H 6.077495 -0.770361 2.127461
H 6.616066 -0.352663 0.450598
H 7.025868 -1.961372 1.158648


