%chk=000201911.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201911

0 1
O 0.031148 0.722072 -1.651864
O -1.088047 -2.364648 1.517799
N -0.485301 -0.847457 -0.087217
N -2.813480 -0.399764 -0.495886
C 1.374191 0.838705 0.373523
C 0.985230 0.584421 1.844916
C 0.260861 0.279437 -0.542226
C 1.508987 2.362400 0.106620
C 0.718538 -0.893956 2.103845
C -1.679239 -1.258819 -0.918019
C 2.704657 0.192532 -0.004545
C -3.288453 0.505606 -1.587578
C -3.915734 -1.176635 0.151157
C -0.366589 -1.438071 1.207513
C -4.338805 1.481629 -1.032912
C -4.970029 -0.210677 0.715719
C -5.501840 0.728563 -0.374354
C 0.234004 3.154087 0.371687
C 2.960156 -0.187377 -1.331968
C 3.713333 0.022486 0.956302
C 4.187559 -0.755339 -1.681831
C 4.941087 -0.544335 0.603474
C 5.180688 -0.940304 -0.715259
H 0.081627 1.181462 2.096832
H 1.781212 0.956027 2.520669
H 1.811084 2.506722 -0.954419
H 2.341054 2.760314 0.719264
H -1.853961 -2.345859 -0.728802
H -1.398964 -1.124730 -1.990883
H 0.428827 -1.064781 3.163130
H 1.641361 -1.499327 1.952606
H -3.709966 -0.053094 -2.450302
H -2.401902 1.073144 -1.959459
H -3.462925 -1.770509 0.981044
H -4.396130 -1.895161 -0.546704
H -4.707821 2.130396 -1.847611
H -3.861357 2.150952 -0.289782
H -4.519550 0.386101 1.533869
H -5.796245 -0.788204 1.168164
H -6.222538 1.445658 0.059563
H -6.061043 0.151490 -1.134675
H -0.588630 2.817495 -0.276796
H -0.106544 3.066593 1.409257
H 0.387213 4.220059 0.164800
H 2.205440 -0.032356 -2.108090
H 3.549751 0.337883 1.986578
H 4.369998 -1.051706 -2.714259
H 5.713677 -0.674775 1.359731
H 6.135215 -1.385149 -0.989019


%chk=000201911-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201911

0 1
O -0.043253 0.915608 -1.556999
O -1.097066 -2.328451 1.607123
N -0.528246 -0.709916 0.026166
N -2.912702 -0.502970 -0.625196
C 1.399660 0.909249 0.440410
C 1.029481 0.665902 1.926489
C 0.231054 0.394742 -0.437614
C 1.624865 2.433605 0.149795
C 0.730070 -0.818215 2.193473
C -1.662640 -1.197154 -0.863531
C 2.701233 0.167775 0.014363
C -3.405657 0.386817 -1.700614
C -3.977637 -1.263332 0.068063
C -0.361716 -1.355341 1.281424
C -4.443113 1.384617 -1.143188
C -5.028691 -0.302350 0.663228
C -5.593496 0.638315 -0.427086
C 0.457572 3.372383 0.523211
C 2.921990 -0.184157 -1.343712
C 3.744700 -0.076495 0.945458
C 4.136727 -0.777462 -1.752218
C 4.962004 -0.666752 0.538076
C 5.163993 -1.024093 -0.813712
H 0.133828 1.264418 2.173765
H 1.835302 1.025249 2.590538
H 1.836981 2.537091 -0.929141
H 2.543351 2.736528 0.690527
H -1.748210 -2.275251 -0.646076
H -1.307760 -1.041925 -1.895541
H 0.398388 -0.996245 3.230431
H 1.636661 -1.434062 2.034600
H -3.884581 -0.203424 -2.524471
H -2.541657 0.924643 -2.128258
H -3.510523 -1.869213 0.863872
H -4.492879 -1.966195 -0.636725
H -4.836477 2.007222 -1.970122
H -3.935772 2.058446 -0.425188
H -4.548387 0.300011 1.458792
H -5.842029 -0.890509 1.130833
H -6.307809 1.359193 0.014358
H -6.158283 0.037776 -1.170786
H -0.476117 3.066786 0.018686
H 0.273810 3.409249 1.612187
H 0.689716 4.402188 0.195907
H 2.144259 0.015571 -2.088777
H 3.622711 0.197136 1.999066
H 4.280629 -1.043692 -2.805452
H 5.751113 -0.845608 1.277389
H 6.106406 -1.484510 -1.130220


