%chk=000189699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189699

0 1
O 3.493738 0.777468 -2.067301
O 5.110359 1.599150 -0.535415
O -2.955010 2.924517 0.444096
O -4.941950 1.839216 -0.270879
N -0.389604 -2.693466 0.025452
C -0.181142 -1.212921 0.065070
C 0.784128 -0.661562 -1.055391
C -1.511472 -0.471831 -0.037039
C 0.514883 -0.876173 1.406842
C 1.938159 -0.077445 -0.314254
C -1.287186 -3.100363 -1.099985
C 1.785238 -0.191705 1.110814
C -2.684002 -1.106001 -0.461456
C -2.694604 -2.571572 -0.787776
C -1.503693 0.912069 0.295010
C 0.883836 -3.468917 0.006547
C 3.079831 0.533122 -0.762164
C -3.915384 -0.401290 -0.573782
C 2.734499 0.289792 1.997627
C 0.018044 -1.172896 2.606010
C -2.696105 1.581596 0.183016
C -3.891525 0.931509 -0.246974
C 4.055123 1.027463 0.162998
C 3.914193 0.923300 1.527250
C 4.782301 1.464687 -1.957246
C -4.379190 3.120261 0.169546
H 0.284728 0.097794 -1.687421
H 1.106096 -1.455448 -1.752801
H -1.308392 -4.209715 -1.159411
H -0.945825 -2.730239 -2.090371
H -3.109467 -3.121218 0.088268
H -3.371467 -2.787979 -1.637280
H -0.592574 1.408506 0.625973
H 0.647766 -4.531658 0.178419
H 1.525583 -3.142413 0.843222
H 1.467307 -3.382791 -0.922196
H -4.824161 -0.897912 -0.898903
H 2.587179 0.189109 3.072186
H -0.925388 -1.692822 2.727031
H 0.506873 -0.931489 3.536768
H 4.661951 1.304492 2.215693
H 4.663194 2.474473 -2.371543
H 5.545955 0.825401 -2.418889
H -4.468653 3.829533 -0.663400
H -4.870770 3.396168 1.111538


%chk=000189699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189699

0 1
O 3.539136 0.763844 -2.101573
O 5.202392 1.592950 -0.573088
O -3.035178 2.954013 0.483919
O -5.031937 1.856062 -0.289964
N -0.388941 -2.688379 -0.004836
C -0.179790 -1.211521 0.077814
C 0.802204 -0.644076 -1.051785
C -1.539008 -0.480870 -0.019262
C 0.541846 -0.868412 1.417808
C 1.977605 -0.073984 -0.295992
C -1.273063 -3.091617 -1.120679
C 1.816648 -0.188244 1.121894
C -2.717353 -1.126583 -0.480104
C -2.701150 -2.604020 -0.839394
C -1.567234 0.906274 0.323922
C 0.842061 -3.498242 0.083044
C 3.142360 0.532986 -0.756830
C -3.943362 -0.403489 -0.598811
C 2.798420 0.300816 2.019477
C 0.033007 -1.187943 2.636301
C -2.773565 1.586563 0.198398
C -3.944404 0.944598 -0.253099
C 4.118183 1.018392 0.138743
C 3.978391 0.919121 1.529478
C 4.852388 1.458383 -2.013032
C -4.478560 3.151854 0.189879
H 0.303415 0.127062 -1.664915
H 1.110505 -1.448567 -1.747150
H -1.258129 -4.194841 -1.186069
H -0.921389 -2.701298 -2.109067
H -3.110973 -3.193425 0.004449
H -3.349301 -2.792399 -1.717176
H -0.671276 1.414182 0.690606
H 0.562050 -4.562528 0.180318
H 1.413571 -3.212319 0.981033
H 1.518213 -3.406450 -0.802147
H -4.852201 -0.898670 -0.953099
H 2.654132 0.207030 3.100484
H -0.924190 -1.711438 2.717029
H 0.554877 -0.943161 3.568447
H 4.748711 1.305532 2.201358
H 4.756933 2.465764 -2.454594
H 5.619395 0.841672 -2.512492
H -4.582693 3.904109 -0.611345
H -4.999347 3.441068 1.119601


