%chk=000021704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021704

0 1
O 1.880543 -0.066878 1.194239
O 1.455940 -0.353124 -2.052752
O 4.345609 -1.355546 -0.028747
O 2.203916 2.995320 0.853723
N -0.152399 -1.073863 0.290390
N -2.293805 -1.837695 0.674703
N -0.737379 1.204409 -0.584515
N -3.170422 1.574263 -0.632414
N -4.704698 -0.053691 0.048551
C 2.081108 -1.134879 -1.000017
C 1.312952 -1.145141 0.368382
C 3.393334 -0.405659 -0.624367
C 2.936383 0.656201 0.402440
C 2.435981 1.985721 -0.185756
C -1.019313 -0.029510 -0.099085
C -0.988525 -2.114571 0.755651
C -2.326866 -0.534085 0.146995
C -3.420204 0.326941 -0.145596
C -1.864903 1.935221 -0.817692
H 2.289681 -2.171893 -1.327308
H 1.519747 -2.102558 0.887306
H 3.891093 0.004265 -1.514507
H 3.751981 0.851324 1.127294
H 1.459189 1.847716 -0.673865
H 3.183456 2.343530 -0.928795
H 0.585395 -0.744354 -2.314045
H 4.118367 -1.482068 0.929047
H -0.572144 -3.042996 1.142902
H 3.053272 3.175737 1.333033
H -1.705257 2.947268 -1.199751
H -4.907650 -0.976136 0.425939
H -5.450984 0.605531 -0.162283


%chk=000021704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021704

0 1
O 1.950613 -0.351841 1.182904
O 1.349529 -0.497558 -2.243536
O 4.466694 -1.156478 -0.359480
O 1.770244 2.655478 1.284934
N -0.120958 -1.187100 0.241443
N -2.211347 -1.553085 1.148009
N -0.690906 0.769212 -1.207465
N -3.045226 1.409334 -1.046298
N -4.580957 0.264033 0.332185
C 2.087522 -1.095028 -1.164548
C 1.347454 -1.300799 0.216822
C 3.352275 -0.271909 -0.741469
C 2.886218 0.571475 0.461451
C 2.254554 1.928462 0.109292
C -0.970328 -0.212460 -0.299751
C -0.932202 -1.949620 1.113588
C -2.247122 -0.457292 0.264472
C -3.309260 0.403367 -0.142003
C -1.777850 1.536290 -1.524983
H 2.432457 -2.073457 -1.539778
H 1.559469 -2.313534 0.606441
H 3.728032 0.306760 -1.597182
H 3.722125 0.728973 1.170766
H 1.365225 1.812861 -0.528865
H 3.017156 2.522316 -0.442597
H 0.656771 0.200313 -1.937483
H 4.255058 -1.578809 0.513702
H -0.518386 -2.772156 1.693719
H 2.495093 2.715281 1.958397
H -1.611639 2.337988 -2.249101
H -4.795390 -0.470278 1.004182
H -5.301518 0.908060 0.011332


