%chk=000104968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104968

0 1
O 3.575727 0.639005 1.307093
O 4.159802 -2.375209 0.477358
O 5.657737 -0.838017 -0.824038
O 3.965997 2.259559 -1.959309
N 1.397126 -0.129034 0.988706
N -3.200029 0.339375 0.138094
N -0.465951 1.189610 1.295770
N 0.322763 -1.969828 -0.348651
N -2.072496 -1.592980 -0.702803
C 2.807365 -0.560351 1.149770
C 3.368609 -1.319691 -0.081230
C 4.341446 -0.323615 -0.778312
C 4.286054 0.965352 0.078232
C -4.525148 -0.058038 -0.412438
C -5.559521 -0.151505 0.733382
C -5.048899 1.045615 -1.360684
C -6.301533 1.194466 0.778060
C -5.981234 1.943621 -0.530965
C 3.520944 2.107446 -0.610275
C 0.338440 -0.783552 0.346407
C -0.814543 0.051070 0.548609
C -2.058096 -0.393432 -0.008234
C 0.837784 1.073504 1.552570
C -0.908471 -2.296980 -0.831411
H 2.937302 -1.117737 2.112157
H 2.597330 -1.728508 -0.767897
H 4.092246 -0.126804 -1.848249
H 5.293575 1.271348 0.431973
H -4.425737 -1.036788 -0.947756
H -5.088465 -0.393307 1.701109
H -6.261677 -0.979360 0.527210
H -5.597574 0.579365 -2.198811
H -4.229166 1.620714 -1.823501
H -5.983929 1.787724 1.652914
H -7.387922 1.040511 0.891248
H -6.902898 2.176401 -1.090513
H -5.500831 2.913755 -0.315829
H -3.153963 1.219815 0.656084
H 3.628318 3.058208 -0.060219
H 2.442285 1.875012 -0.723451
H 1.460694 1.763431 2.108879
H 4.046689 -3.196132 -0.055257
H 5.849954 -1.378856 -0.006979
H 4.900589 2.556585 -1.985382
H -0.981595 -3.242770 -1.396231


%chk=000104968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104968

0 1
O 3.394381 1.065095 1.035736
O 2.847637 -1.908426 -1.061187
O 5.244560 -1.345896 -0.033976
O 6.076442 2.462384 -1.213634
N 1.187833 0.209958 0.790470
N -3.478988 -0.024687 0.618088
N -0.769321 1.199872 1.462644
N 0.240607 -1.690703 -0.521189
N -2.210678 -1.674021 -0.530103
C 2.619518 -0.123745 0.693001
C 3.056632 -0.515289 -0.749117
C 4.573978 -0.219570 -0.682965
C 4.674274 1.014778 0.234391
C -4.781906 -0.586118 0.194071
C -5.908617 -0.040614 1.102926
C -5.204435 -0.077615 -1.212863
C -6.225231 1.379601 0.541561
C -5.802380 1.341130 -0.969236
C 4.796095 2.359791 -0.503045
C 0.154479 -0.563096 0.257916
C -1.043672 0.062365 0.681759
C -2.270485 -0.537937 0.256448
C 0.577181 1.250888 1.510853
C -0.991660 -2.177583 -0.865317
H 2.851943 -0.955441 1.389477
H 2.557044 0.164008 -1.471663
H 5.012434 -0.022469 -1.678819
H 5.509455 0.870880 0.945738
H -4.690841 -1.684772 0.215312
H -5.634462 -0.039377 2.173451
H -6.789566 -0.698254 0.989637
H -5.975447 -0.764001 -1.611774
H -4.359029 -0.084863 -1.920377
H -5.652445 2.155205 1.084532
H -7.292177 1.632212 0.669618
H -6.658463 1.533790 -1.639173
H -5.049305 2.121880 -1.178787
H -3.462095 0.821660 1.193196
H 4.657217 3.186583 0.222586
H 4.028017 2.450732 -1.288635
H 1.168250 2.003051 2.024544
H 1.830514 -2.077246 -0.968748
H 4.751007 -2.160679 -0.335227
H 6.818714 2.442794 -0.557688
H -0.997908 -3.077253 -1.487232


