%chk=000285259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285259

0 1
O 3.788982 2.659469 0.325470
O 2.463919 -3.448768 0.249980
O -3.743096 -1.116360 0.362312
N 1.240383 0.022171 -0.247976
C -0.007608 0.582273 -0.862053
C -1.225520 0.046683 -0.091486
C 2.435501 0.857037 -0.581335
C 1.449614 -1.413957 -0.604187
C -2.515938 0.733289 -0.546942
C 2.604131 1.884968 0.553543
C 2.140623 -2.094843 0.592513
C -3.743318 0.042333 0.017357
C -4.978008 0.896750 0.102455
H 0.024390 1.690700 -0.776711
H -0.100281 0.349582 -1.944207
H -1.075904 0.192737 0.998128
H -1.319194 -1.053800 -0.219903
H 2.365791 1.366760 -1.563759
H 3.356263 0.234710 -0.633190
H 2.038059 -1.565907 -1.531977
H 0.471399 -1.916259 -0.783571
H -2.502719 1.803483 -0.264319
H -2.592714 0.718497 -1.654621
H 2.806656 1.394455 1.525184
H 1.733181 2.552428 0.655816
H 1.453113 -2.209626 1.452383
H 3.049748 -1.563010 0.919280
H -5.171224 1.455909 -0.819563
H -4.900041 1.625567 0.920504
H -5.867902 0.282443 0.310492
H 3.683531 3.235316 -0.454351
H 3.173684 -3.477731 -0.418364


%chk=000285259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285259

0 1
O 3.771115 2.788377 0.401093
O 2.452218 -3.594972 0.123109
O -3.738791 -0.901490 0.906362
N 1.288558 -0.002688 -0.315815
C 0.008980 0.568169 -0.798287
C -1.203075 0.105203 0.036135
C 2.464609 0.870081 -0.519491
C 1.508225 -1.423064 -0.665811
C -2.523537 0.700017 -0.487677
C 2.600448 1.919375 0.604841
C 2.201359 -2.189795 0.481162
C -3.776636 0.134510 0.191775
C -5.077108 0.896992 -0.043697
H 0.084723 1.671498 -0.736913
H -0.168320 0.325463 -1.878045
H -1.044155 0.395730 1.090715
H -1.282820 -0.997226 0.032449
H 2.433175 1.391743 -1.511433
H 3.383138 0.255451 -0.519842
H 2.112059 -1.533233 -1.603073
H 0.535432 -1.907998 -0.860329
H -2.538046 1.805750 -0.394122
H -2.631096 0.498964 -1.577245
H 2.781693 1.416218 1.566989
H 1.669959 2.519575 0.695346
H 1.537877 -2.232442 1.358326
H 3.142451 -1.679593 0.778459
H -5.156740 1.249630 -1.088096
H -5.096918 1.794894 0.605195
H -5.942931 0.265910 0.210700
H 3.661366 3.281268 -0.451531
H 3.078288 -3.625019 -0.644345


