%chk=000206140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206140

0 1
O -0.418660 -0.674985 0.468228
O -3.130518 -2.925460 0.390521
N -6.368631 0.541194 0.063022
N -2.954228 -0.721338 1.006522
C -4.958479 0.126541 -0.212932
C -6.452295 1.990756 0.437972
C -7.300499 0.158955 -1.035854
C -4.415277 -0.492639 1.096105
C -7.777034 2.275764 1.147211
C -7.058279 0.825108 -2.393092
C -2.442240 -1.940531 0.602695
C -0.917205 -2.037280 0.485573
C 3.640917 0.198479 0.303994
C 0.950502 -0.490144 0.411940
C 5.071382 0.565912 0.247584
C 3.256286 -1.148977 0.301206
C 2.656470 1.205036 0.360585
C 1.905657 -1.509508 0.356731
C 1.307902 0.873394 0.413098
C 5.636031 1.359230 1.259404
C 5.871822 0.123197 -0.817865
C 6.988854 1.703584 1.203596
C 7.223450 0.473174 -0.868200
C 7.784321 1.262483 0.141071
H -4.312125 0.959948 -0.555831
H -4.918048 -0.639976 -1.018099
H -5.612680 2.217203 1.132358
H -6.335402 2.667948 -0.436074
H -7.247147 -0.948756 -1.141965
H -8.333263 0.383714 -0.685314
H -4.937087 -1.460199 1.295504
H -4.621456 0.166660 1.967102
H -8.628076 2.234176 0.458410
H -7.966563 1.536903 1.937977
H -7.769115 3.267793 1.609839
H -7.151060 1.915112 -2.332879
H -6.061729 0.601342 -2.787972
H -7.786422 0.476940 -3.134181
H -2.345004 0.090702 1.099791
H -0.637955 -2.542865 -0.457746
H -0.498469 -2.579617 1.353331
H 4.017663 -1.929611 0.260875
H 2.957909 2.253701 0.357037
H 1.627606 -2.558180 0.355408
H 0.533698 1.635045 0.451967
H 5.020061 1.698275 2.090411
H 5.435753 -0.486055 -1.607564
H 7.424745 2.316503 1.990974
H 7.841201 0.130573 -1.696859
H 8.837421 1.532778 0.099787


%chk=000206140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206140

0 1
O -0.320215 -0.338059 0.558405
O -3.159830 -2.565479 0.081770
N -6.562187 0.482154 0.057980
N -2.932790 -0.362597 0.841685
C -5.140516 0.195514 -0.231667
C -6.812689 1.902826 0.402182
C -7.525224 -0.133064 -0.888435
C -4.370338 -0.143596 1.073545
C -8.172406 2.136482 1.087088
C -7.556551 0.465544 -2.322023
C -2.447528 -1.551767 0.363198
C -0.925438 -1.623479 0.180866
C 3.895833 0.238109 0.371064
C 1.079967 -0.214110 0.471626
C 5.366649 0.475716 0.323364
C 3.335923 -1.010632 -0.005757
C 2.998352 1.258213 0.799786
C 1.945285 -1.247222 0.039000
C 1.611006 1.041748 0.851762
C 6.000433 1.332762 1.266225
C 6.179591 -0.148629 -0.663571
C 7.392786 1.558257 1.223443
C 7.572628 0.072530 -0.705230
C 8.187891 0.928383 0.237907
H -4.629076 1.041500 -0.751092
H -5.069776 -0.683319 -0.897305
H -6.012019 2.217317 1.099286
H -6.726769 2.574719 -0.490047
H -7.282028 -1.210563 -0.948295
H -8.536451 -0.070287 -0.444918
H -4.808370 -1.060909 1.502075
H -4.485506 0.671196 1.810677
H -9.019147 1.942522 0.404444
H -8.276557 1.472616 1.963471
H -8.253418 3.185672 1.426238
H -7.851132 1.531043 -2.313186
H -6.568238 0.386500 -2.811701
H -8.287957 -0.080344 -2.946892
H -2.249686 0.379746 1.013647
H -0.708886 -1.862111 -0.878645
H -0.536681 -2.441856 0.817940
H 3.997761 -1.828736 -0.310893
H 3.390839 2.245078 1.068075
H 1.559022 -2.229020 -0.249979
H 0.926526 1.833081 1.172622
H 5.403925 1.800902 2.057731
H 5.713133 -0.786859 -1.422743
H 7.859005 2.216422 1.965377
H 8.176400 -0.413677 -1.479850
H 9.269156 1.101766 0.205152


