%chk=000184031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184031

0 1
O -3.699401 -1.063217 -0.977659
O -4.394120 -0.017092 -0.241513
O -0.096123 -0.614846 -1.285487
O 1.871133 -0.385898 -0.398149
O 0.222485 1.246266 0.039003
N 2.703836 0.345151 0.492334
C -2.388414 -0.712413 -0.355889
C -3.141748 0.383083 0.483026
C -1.490925 -0.252365 -1.510625
C -1.828158 -1.902194 0.384223
C -2.830280 1.829477 0.185709
C -3.309989 0.102445 1.959699
C 0.618128 0.230239 -0.459064
C 3.941208 -0.063619 0.446375
C 4.894545 0.631233 1.370465
C 4.489961 -1.151453 -0.417947
H -1.561093 0.826633 -1.731149
H -1.711935 -0.838519 -2.428868
H -2.633287 -2.501553 0.833362
H -1.264472 -2.570625 -0.283545
H -1.142514 -1.596820 1.184853
H -1.765707 2.057587 0.376625
H -3.053154 2.091305 -0.857096
H -3.421270 2.513086 0.808220
H -2.365884 0.228720 2.503861
H -4.045251 0.783336 2.410201
H -3.681697 -0.915013 2.141955
H 5.414037 -0.089578 2.017788
H 4.392892 1.360747 2.030148
H 5.655578 1.186290 0.801913
H 5.459415 -0.881812 -0.858382
H 4.637217 -2.077180 0.159150
H 3.810588 -1.402101 -1.250738


%chk=000184031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184031

0 1
O -3.803124 -0.941972 -1.071776
O -4.474774 -0.277782 0.182053
O -0.074390 -0.604810 -1.365939
O 1.899682 -0.342338 -0.412954
O 0.082838 0.996220 0.346399
N 2.737071 0.341720 0.644516
C -2.434562 -0.697176 -0.420390
C -3.111451 0.369330 0.520022
C -1.507052 -0.239125 -1.561599
C -1.965483 -1.989539 0.251582
C -3.126701 1.807477 -0.004030
C -2.843902 0.296715 2.018766
C 0.584484 0.124527 -0.383904
C 3.980190 -0.074276 0.536053
C 4.918595 0.536126 1.557716
C 4.535985 -1.067895 -0.457336
H -1.576943 0.843957 -1.747119
H -1.780658 -0.794571 -2.474056
H -2.792940 -2.412649 0.844273
H -1.667948 -2.727581 -0.512777
H -1.101151 -1.819285 0.917451
H -2.127765 2.267911 0.089448
H -3.457419 1.841591 -1.056646
H -3.844700 2.400283 0.589507
H -1.845772 0.718929 2.233053
H -3.595646 0.897033 2.562286
H -2.889367 -0.735282 2.399875
H 5.425373 -0.260761 2.133457
H 4.372597 1.192211 2.253424
H 5.703517 1.126421 1.049112
H 5.526490 -0.733664 -0.812918
H 4.679407 -2.047808 0.037979
H 3.861122 -1.214636 -1.312727


