%chk=000208357.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208357

2 1
O 2.415000 -0.360799 -1.220187
O 0.743831 -0.484812 0.290994
N -1.860283 -0.561241 -1.416568
N -2.888384 0.965873 1.008718
C -2.388212 -1.237880 -0.144518
C -1.429504 0.859451 -1.064944
C -3.414775 -0.419091 0.630963
C -2.468594 1.661396 -0.286986
C -0.660623 -1.419745 -1.884674
C -2.912940 -0.537073 -2.497986
C -1.725258 0.862576 1.966896
C -3.999607 1.757481 1.664798
C 0.415957 -0.709210 -2.706226
C 1.813827 -1.160033 -2.272728
C 2.993144 0.365186 0.983390
C 1.913894 -0.208700 0.028738
C 3.768350 1.465866 0.262425
C 2.282265 0.913548 2.222860
C 3.897824 -0.815936 1.341466
H -1.497835 -1.474044 0.512592
H -2.834646 -2.234723 -0.404055
H -1.160024 1.416796 -2.001095
H -0.460063 0.794354 -0.474621
H -4.372073 -0.312195 0.060495
H -3.701575 -0.984358 1.561015
H -2.040221 2.674481 -0.051864
H -3.375964 1.875352 -0.906012
H -0.167740 -1.837955 -0.955208
H -1.059346 -2.293812 -2.452827
H -2.503148 -0.142281 -3.452713
H -3.296850 -1.552725 -2.730565
H -3.786319 0.084643 -2.239102
H -0.838035 0.342932 1.528110
H -1.995958 0.309358 2.889155
H -1.373088 1.860975 2.296930
H -3.673943 2.783979 1.937947
H -4.341726 1.286514 2.611553
H -4.892556 1.865342 1.018876
H 0.368974 0.396847 -2.666889
H 0.291011 -0.948591 -3.790120
H 2.565900 -0.991615 -3.081262
H 1.858041 -2.217149 -1.951340
H 4.242741 1.103509 -0.662719
H 3.151968 2.331725 0.003240
H 4.589841 1.844911 0.892882
H 1.659216 1.783551 2.002413
H 3.027013 1.248331 2.966840
H 1.673104 0.152499 2.723687
H 4.405598 -1.238491 0.462815
H 4.703005 -0.497434 2.025173
H 3.368587 -1.627783 1.853840


%chk=000208357-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208357

2 1
O 2.680582 -0.600105 -1.263234
O 1.107958 -0.382845 0.424947
N -1.924240 -0.478609 -1.333713
N -3.313104 0.863092 1.052333
C -2.787676 -1.238644 -0.304390
C -1.436032 0.840211 -0.695271
C -3.876535 -0.391359 0.360848
C -2.546917 1.654520 -0.023015
C -0.694715 -1.412347 -1.619490
C -2.692217 -0.221508 -2.629704
C -2.408208 0.510623 2.242331
C -4.483266 1.713700 1.570737
C 0.432444 -0.823066 -2.491566
C 1.799397 -1.463604 -2.101794
C 3.434017 0.461555 0.785683
C 2.292232 -0.190954 0.004266
C 4.191006 1.489594 -0.105100
C 2.867310 1.150019 2.050474
C 4.411828 -0.691260 1.195326
H -2.094324 -1.658250 0.442410
H -3.266495 -2.084969 -0.825542
H -1.010954 1.464846 -1.497519
H -0.607589 0.571792 -0.013689
H -4.638989 -0.044465 -0.357545
H -4.386561 -1.005570 1.122348
H -2.086893 2.532479 0.461853
H -3.301481 2.022508 -0.739540
H -0.277145 -1.637912 -0.625630
H -1.124818 -2.322819 -2.073606
H -2.018986 0.271342 -3.346555
H -3.027694 -1.183919 -3.045793
H -3.564036 0.424116 -2.445607
H -1.507542 -0.026059 1.912110
H -2.981425 -0.109955 2.947888
H -2.108232 1.446618 2.737384
H -4.082970 2.633216 2.024390
H -5.035253 1.137443 2.329144
H -5.152326 1.969986 0.734616
H 0.541053 0.269880 -2.381028
H 0.245463 -1.019229 -3.561654
H 2.417335 -1.624831 -2.996329
H 1.670510 -2.431534 -1.581473
H 4.608081 1.016305 -1.008140
H 3.535891 2.325031 -0.413773
H 5.025297 1.916041 0.477965
H 2.188714 1.983436 1.789934
H 3.702158 1.569571 2.637030
H 2.322191 0.437307 2.692920
H 4.840654 -1.188602 0.309353
H 5.239885 -0.255371 1.780664
H 3.912416 -1.447645 1.827344


