%chk=000186331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186331

0 1
O -3.048820 -2.357716 0.562184
O -5.470495 0.077332 -0.436909
O -3.549664 2.088535 0.253918
N -0.854427 1.513989 -0.139496
C -3.810536 -1.559821 -0.394140
C -2.362078 -1.899023 -0.652161
C -4.159073 -0.162024 0.089002
C -1.335735 -0.847566 -0.441985
C -3.194174 0.913691 -0.480996
C -1.733054 0.522239 -0.333418
C 0.008097 -1.158578 -0.327259
C 0.962730 -0.131141 -0.117924
C 0.485697 1.204881 -0.027680
C 2.388911 -0.384203 0.009578
C 1.409473 2.300992 0.184941
C 3.265811 0.708429 0.215561
C 2.738038 2.055147 0.299716
C 2.930538 -1.695030 -0.065246
C 4.660941 0.473607 0.339927
C 4.290639 -1.903020 0.058669
C 5.164693 -0.810038 0.262428
H -4.629363 -2.094132 -0.890908
H -2.092737 -2.714424 -1.331414
H -4.190579 -0.107427 1.204146
H -3.422225 1.118489 -1.557897
H 0.342283 -2.197930 -0.389636
H -5.770201 0.980007 -0.167673
H -2.782633 2.709747 0.329729
H 0.992535 3.308248 0.247007
H 3.447635 2.869007 0.460312
H 2.260722 -2.541537 -0.219379
H 5.329139 1.319904 0.498156
H 4.702499 -2.910355 0.001722
H 6.234311 -0.992979 0.357925


%chk=000186331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186331

0 1
O -3.095467 -2.399562 0.647763
O -5.548500 0.167824 -0.214718
O -3.463614 2.222060 -0.078235
N -0.900984 1.483130 -0.132872
C -3.853773 -1.542060 -0.333677
C -2.433681 -1.921448 -0.653274
C -4.156140 -0.117188 0.129663
C -1.368208 -0.892030 -0.484360
C -3.215979 0.880255 -0.580413
C -1.760353 0.479685 -0.386113
C -0.005182 -1.193113 -0.365870
C 0.950609 -0.159073 -0.130540
C 0.444993 1.187852 0.000325
C 2.387639 -0.397525 -0.000585
C 1.345719 2.279110 0.270406
C 3.258382 0.722147 0.266014
C 2.702736 2.050445 0.398399
C 2.974206 -1.694455 -0.125427
C 4.665245 0.508548 0.397477
C 4.356755 -1.881428 0.006864
C 5.212302 -0.773039 0.270671
H -4.685035 -2.045638 -0.840293
H -2.240216 -2.747734 -1.348404
H -3.989981 -0.037184 1.223902
H -3.456102 0.851902 -1.666998
H 0.315118 -2.237492 -0.435802
H -5.706760 1.129963 -0.030744
H -2.555869 2.621395 0.077844
H 0.913309 3.279318 0.364338
H 3.386919 2.882206 0.602731
H 2.343765 -2.565893 -0.328437
H 5.312727 1.369501 0.600653
H 4.782802 -2.885479 -0.092611
H 6.291514 -0.927698 0.373124


