%chk=000198383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198383

0 1
O 2.005854 -3.109297 1.547771
O -3.681200 -0.178524 1.570165
O 1.694112 3.273688 1.562232
O -0.773277 -2.554397 -0.892804
O 2.599996 0.611268 -0.899712
O -1.828135 1.949800 -0.883482
N 0.954363 -1.010207 -0.857928
N -1.354450 -0.318463 -0.849998
N 0.399025 1.335153 -0.853221
C 2.592438 -2.133134 0.633452
C -3.137417 -1.175375 0.651721
C 0.556299 3.307872 0.647262
C 1.984156 -2.090969 -0.756607
C -2.804735 -0.669817 -0.740317
C 0.820528 2.766821 -0.746108
C 3.366137 -3.347395 1.066978
C -4.573088 -1.235260 1.094717
C 1.230131 4.577283 1.089442
C -0.418410 -1.398175 -0.853620
C 1.421406 0.340287 -0.857201
C -1.004037 1.064375 -0.848506
H 2.796314 -1.158640 1.096673
H -2.393852 -1.841092 1.109684
H -0.392201 3.001128 1.107818
H 2.781569 -1.893603 -1.513606
H 1.497978 -3.069038 -1.007365
H -3.036893 -1.459178 -1.495882
H -3.410019 0.240260 -0.987776
H 0.248958 3.362448 -1.498716
H 1.909929 2.835819 -0.999513
H 3.466724 -4.214942 0.419322
H 4.134970 -3.265993 1.833413
H -5.378182 -0.886458 0.452551
H -4.883520 -1.941478 1.862861
H 1.935478 5.097120 0.445640
H 0.779252 5.200812 1.859560


%chk=000198383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198383

0 1
O 2.015287 -2.898148 1.656571
O -3.477534 -0.289696 1.680335
O 1.491423 3.174248 1.675178
O -0.718178 -2.604963 -0.843733
O 2.616478 0.680115 -0.842913
O -1.895557 1.925249 -0.842085
N 0.973162 -0.975872 -0.777970
N -1.330048 -0.353870 -0.773628
N 0.360033 1.329818 -0.774384
C 2.731620 -2.102649 0.589037
C -3.175665 -1.310197 0.606670
C 0.451526 3.408404 0.603024
C 2.035767 -2.017901 -0.757513
C -2.763729 -0.752377 -0.743849
C 0.731789 2.770743 -0.746034
C 3.299500 -3.408345 1.051521
C -4.581550 -1.130575 1.088948
C 1.299129 4.546626 1.079332
C -0.376607 -1.395776 -0.793840
C 1.398528 0.370853 -0.793930
C -1.018991 1.024982 -0.792150
H 3.177232 -1.172978 0.960703
H -2.599807 -2.169389 0.969032
H -0.578886 3.330233 0.968018
H 2.775479 -1.769927 -1.539124
H 1.540745 -2.973546 -0.992613
H -2.924772 -1.518129 -1.523075
H -3.344582 0.154157 -0.977343
H 0.151109 3.291786 -1.527618
H 1.807932 2.819777 -0.976331
H 3.184161 -4.299867 0.420982
H 4.163782 -3.408344 1.726047
H -5.297051 -0.573900 0.469479
H -5.014535 -1.874212 1.768316
H 2.133903 4.895042 0.456977
H 0.865111 5.291328 1.756865


