%chk=000228368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228368

0 1
I 9.699463 0.494602 -0.015891
O -4.591606 -0.397049 0.003726
O -6.043392 1.380886 -0.015969
N -6.794488 -0.833032 0.012118
C 1.574089 0.400898 -0.010093
C 2.814606 -0.502518 0.001306
C 0.280702 -0.424935 0.001813
C 4.107858 0.323635 -0.010731
C -0.959225 0.479165 -0.009725
C 5.348097 -0.579578 0.000979
C -2.248521 -0.349375 0.002236
C 6.640750 0.254381 -0.011068
C -3.473288 0.557817 -0.009540
C 7.856444 -0.649561 0.000609
C -5.854201 0.180175 -0.001591
C -8.234453 -0.510565 0.009971
H 1.594299 1.056838 -0.902017
H 1.595379 1.080597 0.863837
H 2.794327 -1.158036 0.893427
H 2.793165 -1.181929 -0.872728
H 0.259641 -1.104633 -0.872202
H 0.260639 -1.080729 0.893925
H 4.127926 1.003853 0.863045
H 4.126957 0.979623 -0.902863
H -0.937008 1.158406 0.865285
H -0.938010 1.134463 -0.902830
H 5.327154 -1.258207 -0.873639
H 5.328054 -1.234060 0.893832
H -2.282932 -1.033994 -0.869487
H -2.282042 -1.009927 0.892368
H 6.653267 0.938245 0.863161
H 6.652338 0.914173 -0.903614
H -3.563708 1.172616 -0.920903
H -3.562922 1.197119 0.884895
H 7.904496 -1.278224 0.901780
H 7.903589 -1.302501 -0.883179
H -6.515320 -1.806782 0.023528
H -8.392301 0.586887 -0.002987
H -8.722218 -0.912198 0.914567
H -8.724407 -0.933744 -0.883552


%chk=000228368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228368

0 1
I 9.870524 0.571768 -0.007214
O -4.713430 -0.464441 0.005684
O -6.128538 1.427982 -0.025486
N -6.964873 -0.773491 0.017753
C 1.587170 0.367206 -0.011276
C 2.862348 -0.505658 -0.002245
C 0.283458 -0.462051 -0.002416
C 4.166655 0.322884 -0.009555
C -0.992358 0.409726 -0.012309
C 5.440063 -0.554690 -0.000320
C -2.289563 -0.431850 0.000167
C 6.739445 0.292988 -0.007619
C -3.539555 0.449208 -0.011718
C 7.980341 -0.604418 0.003019
C -5.969676 0.179363 -0.003093
C -8.384510 -0.414385 0.015038
H 1.598332 1.023864 -0.906243
H 1.598458 1.042287 0.869875
H 2.849939 -1.162814 0.892442
H 2.850800 -1.179947 -0.884082
H 0.272144 -1.137532 -0.883143
H 0.271852 -1.117839 0.893090
H 4.179078 0.996308 0.872352
H 4.180076 0.979221 -0.904240
H -0.979173 1.086508 0.867292
H -0.981036 1.063732 -0.909004
H 5.428262 -1.226731 -0.883282
H 5.427090 -1.209625 0.895410
H -2.311004 -1.103467 -0.879974
H -2.310019 -1.077985 0.899222
H 6.751356 0.961158 0.874455
H 6.753325 0.942888 -0.903214
H -3.592687 1.081970 -0.917439
H -3.589040 1.111163 0.873106
H 8.051313 -1.221917 0.912141
H 8.053276 -1.240688 -0.892902
H -6.675387 -1.751296 0.035501
H -8.453254 0.685001 -0.006215
H -8.896306 -0.783248 0.923522
H -8.901697 -0.818351 -0.875279


