%chk=000282662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282662

0 1
O 0.130844 2.622091 0.763879
O 0.368045 -2.676517 0.919001
O 1.187741 3.383201 -1.080262
O 1.355662 -3.410017 -0.982411
O -4.780792 0.428447 1.166563
O -3.138459 1.165850 2.363457
N 3.886791 0.085998 0.089613
N -3.593973 0.630350 1.364501
C 1.089825 -0.020430 -0.219390
C 1.751846 1.215439 -0.153885
C 1.844412 -1.201760 -0.113728
C -0.374045 -0.100426 -0.446407
C 3.166130 1.236447 -0.000965
C 3.253137 -1.118038 0.037260
C -1.264441 0.306590 0.556610
C -0.862188 -0.600075 -1.664557
C 1.033168 2.505770 -0.261975
C 1.199313 -2.534475 -0.162820
C 3.923940 2.513182 0.069039
C 4.100244 -2.334325 0.147972
C -2.641914 0.200685 0.318765
C -2.240861 -0.694876 -1.885647
C -3.140179 -0.299259 -0.896389
C -0.668102 3.861360 0.826327
C -0.417631 -3.908963 1.029066
C -1.252870 3.845662 2.218905
C -1.591016 -3.853861 0.074405
H -0.891073 0.716050 1.507950
H -0.162164 -0.916821 -2.443720
H 5.014345 2.357190 -0.005683
H 3.742564 3.037945 1.020538
H 3.634879 3.203569 -0.745006
H 3.850281 -3.078428 -0.629721
H 3.971269 -2.826051 1.125459
H 5.175715 -2.104639 0.048221
H -2.612346 -1.079635 -2.837023
H -4.222444 -0.370378 -1.053026
H -1.423103 3.787508 0.025925
H 0.003454 4.716512 0.634804
H -0.715211 -3.864166 2.093287
H 0.248425 -4.769093 0.840329
H -0.470925 3.844167 2.989941
H -1.866438 2.945113 2.397242
H -1.895362 4.717833 2.391618
H -2.307943 -4.659659 0.274410
H -2.130489 -2.900368 0.153571
H -1.261861 -3.957699 -0.970043


%chk=000282662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282662

0 1
O 0.308374 2.818332 0.984115
O 0.316234 -2.771215 0.880486
O 0.930005 3.218293 -1.227900
O 1.526888 -3.514596 -0.973458
O -4.983334 0.526682 0.968296
O -3.280821 1.320394 2.258291
N 3.870643 0.101138 0.070429
N -3.729167 0.713645 1.208590
C 1.044316 -0.063972 -0.175379
C 1.698106 1.192631 -0.084941
C 1.846017 -1.238283 -0.118219
C -0.430217 -0.156108 -0.428573
C 3.118324 1.239600 0.031361
C 3.263789 -1.121119 -0.005122
C -1.371879 0.314016 0.514849
C -0.893747 -0.715293 -1.649630
C 0.948095 2.490420 -0.207709
C 1.231688 -2.606629 -0.158629
C 3.866062 2.551980 0.096904
C 4.175696 -2.325775 0.058296
C -2.745322 0.208516 0.217249
C -2.276673 -0.809225 -1.925376
C -3.223451 -0.349962 -0.988671
C -0.468621 4.106791 0.994101
C -0.359578 -4.107854 0.979408
C -1.123088 4.216196 2.366310
C -1.619606 -4.150327 0.111781
H -1.052818 0.747894 1.464599
H -0.166261 -1.066873 -2.389398
H 4.928598 2.353450 0.300232
H 3.460280 3.209571 0.887858
H 3.778757 3.100720 -0.858929
H 4.107425 -2.923909 -0.867122
H 3.902957 -2.998405 0.892829
H 5.210562 -1.980756 0.199068
H -2.613584 -1.236043 -2.875139
H -4.299639 -0.406113 -1.171139
H -1.203993 4.066804 0.170642
H 0.240418 4.928519 0.786458
H -0.591197 -4.193587 2.052719
H 0.364165 -4.885768 0.679073
H -0.363825 4.222885 3.167031
H -1.817003 3.377126 2.543472
H -1.697172 5.158919 2.426652
H -2.146256 -5.108683 0.276671
H -2.308925 -3.329093 0.372350
H -1.365019 -4.077934 -0.958785


