%chk=000219632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219632

0 1
O 3.883980 -0.175960 0.631986
O -2.433847 1.483913 0.956001
O -0.778895 -2.938726 -0.210166
O -1.845562 2.664902 -0.860926
O -2.277397 -1.406038 -0.855285
N 0.169366 0.243017 -0.018860
C 1.620579 -0.015940 -0.346988
C 2.499262 -0.004520 0.944894
C 2.112431 1.073961 -1.310055
C 1.722942 -1.383480 -1.038535
C -0.110931 1.595419 0.537179
C -0.501102 -0.817686 0.781759
C -1.502720 1.987245 0.070768
C -1.306097 -1.658191 -0.193425
H 2.189530 -0.782417 1.663219
H 2.488015 0.981162 1.445347
H 2.000902 2.087200 -0.902444
H 1.562473 1.046785 -2.259980
H 3.181369 0.936632 -1.525372
H 2.730389 -1.550558 -1.434924
H 1.474326 -2.225481 -0.380549
H 1.032672 -1.441352 -1.893414
H 0.615661 2.342174 0.121036
H -0.048347 1.660238 1.646684
H -1.226975 -0.387282 1.521346
H 0.199568 -1.463453 1.358444
H 4.032244 -1.053020 0.218805
H -3.371659 1.638893 0.660405
H -1.271378 -3.553035 -0.814350


%chk=000219632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219632

0 1
O 4.115689 -0.550691 0.093508
O -2.711559 1.526655 -0.329573
O -1.556627 -2.889332 1.013766
O -0.992822 1.522204 -1.890589
O -1.705572 -1.343830 -0.714376
N 0.443418 0.257793 0.654712
C 1.694339 0.143965 -0.177003
C 2.841887 -0.315192 0.787419
C 2.105951 1.516459 -0.756882
C 1.525368 -0.869267 -1.345371
C -0.455673 1.412447 0.552302
C -0.146465 -0.949957 1.216153
C -1.361380 1.472137 -0.697479
C -1.193727 -1.696478 0.366686
H 2.549451 -1.222659 1.356332
H 3.053444 0.493599 1.505265
H 2.208726 2.278371 0.038158
H 1.386527 1.866850 -1.515655
H 3.098123 1.402018 -1.225756
H 2.419020 -0.863847 -1.996783
H 1.371177 -1.903498 -0.978578
H 0.655261 -0.588557 -1.960861
H 0.131306 2.346696 0.555168
H -1.111088 1.432178 1.440984
H -0.654597 -0.716354 2.175459
H 0.633890 -1.686824 1.472642
H 4.033989 -1.366127 -0.462055
H -3.276189 1.529842 -1.150201
H -2.261067 -3.354196 0.485209


