%chk=000215438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215438

0 1
O 6.067303 0.699452 -0.510737
N 0.411198 1.326960 -0.098529
N 3.936238 0.103362 0.023957
N -5.423306 0.883934 0.700394
C 3.339315 1.352178 -0.523006
C 2.649008 2.158433 0.594345
C 2.334454 1.025718 -1.644609
C 1.334529 1.521705 1.067886
C 1.027797 0.416078 -1.117512
C -0.915823 0.801167 0.364104
C -1.976268 1.070467 -0.723341
C -3.332629 0.735592 -0.222186
C -3.934442 -0.579162 -0.248794
C -4.249746 1.603606 0.357837
C 5.315394 -0.126221 -0.018855
C -5.243135 -0.461214 0.331671
C 5.756780 -1.447609 0.581170
C -3.502481 -1.837043 -0.702948
C -4.156442 3.053490 0.629154
C 7.281762 -1.600783 0.490548
C -6.106521 -1.565213 0.460709
C -4.354531 -2.923110 -0.574580
C -5.642735 -2.787242 0.001379
C 7.752660 -2.922973 1.085530
H 4.181114 1.968392 -0.952051
H 3.333364 2.288668 1.453353
H 2.440061 3.177690 0.207762
H 2.103322 1.965777 -2.187695
H 2.793080 0.346172 -2.386881
H 0.834844 2.210312 1.784950
H 1.541124 0.579803 1.619054
H 1.210592 -0.607943 -0.727683
H 0.307106 0.311985 -1.959581
H -0.900126 -0.279555 0.618608
H -1.210482 1.338211 1.292394
H -1.918553 2.133483 -1.041239
H -1.750539 0.482871 -1.637155
H 3.294440 -0.565589 0.428850
H -6.243348 1.271592 1.121136
H 5.263035 -2.290162 0.056626
H 5.434906 -1.515006 1.639673
H -2.515710 -1.942365 -1.146443
H -3.136586 3.426841 0.436596
H -4.835054 3.633496 -0.014554
H -4.392324 3.299529 1.674250
H -7.091328 -1.457312 0.900757
H 7.599864 -1.517484 -0.569422
H 7.770878 -0.747970 1.005313
H -4.040141 -3.905210 -0.920551
H -6.275344 -3.670198 0.079372
H 7.489260 -3.010536 2.145540
H 7.317487 -3.783102 0.564442
H 8.843182 -3.017363 1.013095


%chk=000215438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215438

0 1
O 5.916973 0.995349 0.635510
N 0.487861 1.412509 -0.174842
N 3.949456 0.106395 -0.218978
N -5.402795 0.772005 0.733471
C 3.416831 1.413559 -0.668900
C 2.763196 2.199974 0.497536
C 2.379656 1.209270 -1.795124
C 1.448140 1.542942 0.955584
C 1.062291 0.596194 -1.270217
C -0.837690 0.920571 0.277548
C -1.976110 1.202654 -0.740478
C -3.326382 0.769645 -0.222772
C -3.835481 -0.593197 -0.203026
C -4.308746 1.580720 0.359161
C 5.172199 -0.012464 0.418977
C -5.141863 -0.561612 0.401997
C 5.564640 -1.430445 0.851134
C -3.316327 -1.838709 -0.645575
C -4.335888 3.062256 0.607437
C 7.028959 -1.765911 0.477019
C -5.925173 -1.722909 0.574360
C -4.093074 -3.002872 -0.478980
C -5.383277 -2.946225 0.126247
C 7.490927 -3.114898 1.065227
H 4.283842 1.989862 -1.040202
H 3.476165 2.267352 1.338418
H 2.549058 3.228082 0.148439
H 2.150192 2.196984 -2.234686
H 2.800583 0.571315 -2.595921
H 0.975368 2.162222 1.739954
H 1.672480 0.544041 1.415792
H 1.233982 -0.465883 -0.931604
H 0.336516 0.541698 -2.100424
H -0.817095 -0.174246 0.514457
H -1.085377 1.442396 1.221090
H -1.961399 2.283992 -0.970067
H -1.765490 0.677453 -1.692616
H 3.379370 -0.729275 -0.360901
H -6.255318 1.117038 1.169349
H 4.875055 -2.186726 0.425285
H 5.461425 -1.484079 1.953994
H -2.326200 -1.895544 -1.113153
H -3.421616 3.534085 0.212829
H -5.201269 3.547525 0.115203
H -4.392051 3.300095 1.687839
H -6.918241 -1.684746 1.036741
H 7.131539 -1.779728 -0.625933
H 7.670541 -0.943262 0.841940
H -3.704520 -3.970025 -0.817538
H -5.963656 -3.868250 0.244054
H 7.435339 -3.105246 2.170346
H 6.862184 -3.951116 0.704208
H 8.536774 -3.334214 0.782895


