%chk=000207591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207591

0 1
O -0.576367 -1.799547 0.086760
O -2.843496 -0.717632 -0.444866
O -3.140219 1.504448 -0.130503
N 1.204323 -0.473262 0.595895
N 0.937368 1.971251 0.552671
C 1.897405 0.826070 0.402975
C 2.118902 -1.658102 0.479169
C 2.567246 0.893898 -0.991907
C 2.885108 -1.617715 -0.862442
C 3.560038 -0.267419 -1.129319
C -0.174565 -0.660708 0.221701
C 3.054710 -1.721679 1.689276
C -0.403398 1.808248 0.393198
C -0.962644 0.569278 0.147828
C 1.507461 3.273744 0.958103
C -2.394899 0.536236 -0.134507
C -4.273264 -0.874164 -0.715441
C -5.046677 -0.876110 0.587667
H 2.677153 0.919680 1.212864
H 1.458606 -2.575374 0.488229
H 3.078711 1.860271 -1.139012
H 1.797458 0.831833 -1.787313
H 2.173546 -1.846494 -1.682444
H 3.636901 -2.428184 -0.882941
H 4.410738 -0.125563 -0.434929
H 3.996323 -0.263744 -2.147299
H 3.819484 -0.940031 1.678083
H 2.488621 -1.619562 2.625286
H 3.571834 -2.687375 1.726234
H -1.055364 2.701116 0.451966
H 0.768979 4.088833 0.861108
H 2.373359 3.534718 0.323498
H 1.841516 3.244769 2.012030
H -4.595920 -0.071684 -1.401184
H -4.271722 -1.856738 -1.222622
H -6.090520 -1.169672 0.437331
H -4.599191 -1.570315 1.311888
H -5.040343 0.122180 1.050171


%chk=000207591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207591

0 1
O -0.503651 -1.956968 0.121849
O -2.955252 -0.767181 -0.439796
O -3.094759 1.544375 -0.173742
N 1.264236 -0.492528 0.529979
N 0.937984 1.916520 0.577934
C 1.910317 0.822914 0.354387
C 2.217958 -1.642440 0.501344
C 2.608761 0.903524 -1.034275
C 2.992615 -1.619648 -0.848377
C 3.644917 -0.244364 -1.139903
C -0.102654 -0.756593 0.216890
C 3.132640 -1.667335 1.745684
C -0.388929 1.702494 0.366878
C -0.951155 0.454371 0.108765
C 1.478282 3.228539 0.957862
C -2.403703 0.479267 -0.165821
C -4.424617 -0.786429 -0.702375
C -5.212994 -0.836175 0.610639
H 2.696074 0.926563 1.133422
H 1.570343 -2.536317 0.521620
H 3.108054 1.883988 -1.159295
H 1.838737 0.808871 -1.823818
H 2.276552 -1.863293 -1.656938
H 3.764169 -2.413243 -0.844170
H 4.471642 -0.056734 -0.424318
H 4.099576 -0.248689 -2.147935
H 3.856903 -0.831704 1.774613
H 2.524578 -1.630948 2.666188
H 3.715673 -2.605921 1.755569
H -1.055562 2.571405 0.407473
H 0.653416 3.950839 1.061020
H 2.183814 3.611170 0.196577
H 2.010321 3.163727 1.926507
H -4.695173 0.104894 -1.296115
H -4.561728 -1.702721 -1.298803
H -6.291741 -0.957505 0.396857
H -4.883558 -1.688485 1.229654
H -5.074885 0.097257 1.181175


