%chk=000182323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182323

0 1
O 1.301285 0.578464 1.265574
O 0.773114 -2.221583 -1.606004
O 5.024529 -1.495537 -0.552628
O -0.122061 0.419296 2.977153
O -3.543385 2.004662 0.411202
N 3.238061 -0.132645 -1.182730
N 1.380453 -1.558100 -0.499386
N -2.012664 0.307771 0.483118
N -2.613941 -1.972308 0.013554
C 1.331188 1.007619 -0.137232
C 1.734287 -0.210740 -1.053930
C -0.054353 1.589079 -0.443550
C 2.685433 -2.254889 -0.128589
C 2.532601 1.914593 -0.253694
C 3.635817 1.197999 -0.800374
C -0.936397 1.279209 0.779579
C 3.840301 -1.313007 -0.604724
C 0.042000 0.717144 1.831063
C 2.846259 -3.624822 -0.765956
C 2.724664 -2.289472 1.397915
C 2.697284 3.232746 0.141046
C 4.890091 1.775219 -0.950506
C 3.958149 3.832878 -0.023029
C 5.032755 3.114853 -0.553824
C -3.356230 0.811791 0.282574
C -1.722920 -1.073800 0.351919
C -4.339394 -0.216887 -0.076186
C -3.950745 -1.572068 -0.211996
C -5.686646 0.147507 -0.293323
C -4.907482 -2.550414 -0.570627
C -6.616206 -0.819274 -0.642202
C -6.222883 -2.167836 -0.780746
H 1.286580 -0.082249 -2.080696
H -0.484010 1.176657 -1.377807
H -0.000879 2.681481 -0.622975
H -1.416770 2.222143 1.179874
H 2.687536 -3.590626 -1.854696
H 3.856228 -4.023365 -0.589429
H 2.130809 -4.350267 -0.359461
H 2.500693 -1.301648 1.839447
H 1.978626 -2.985047 1.802961
H 3.709007 -2.606665 1.766139
H 1.874060 3.795387 0.578446
H 5.727371 1.204681 -1.352880
H 0.034710 -2.766262 -1.176752
H 4.097959 4.870436 0.277708
H 6.005419 3.598221 -0.662218
H -0.679919 -1.390246 0.558778
H -5.974303 1.197119 -0.180738
H -4.591604 -3.589946 -0.670694
H -7.657073 -0.545387 -0.810610
H -6.970306 -2.914666 -1.056054


%chk=000182323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182323

0 1
O 1.360506 0.890869 1.510992
O 0.240554 -1.977164 -1.329907
O 4.847841 -1.626839 -0.486556
O -0.096831 0.668385 3.301479
O -3.447950 2.028079 0.127084
N 3.066321 -0.124334 -0.879894
N 1.178698 -1.433874 -0.295229
N -1.945748 0.347497 0.770988
N -2.394335 -2.002585 0.483241
C 1.285827 1.204706 0.025622
C 1.588687 -0.100680 -0.806003
C -0.114292 1.836256 -0.167884
C 2.447247 -2.305022 -0.158219
C 2.513796 2.044820 -0.307955
C 3.564112 1.198855 -0.765459
C -0.951130 1.411351 1.066383
C 3.622026 -1.355008 -0.533804
C 0.091784 0.945190 2.108364
C 2.449584 -3.542871 -1.075668
C 2.600123 -2.700597 1.329754
C 2.752584 3.414215 -0.113118
C 4.859382 1.679203 -1.016515
C 4.048158 3.924435 -0.380401
C 5.085698 3.062899 -0.814952
C -3.205860 0.789463 0.240156
C -1.629127 -1.003942 0.889969
C -4.101788 -0.309584 -0.157840
C -3.658419 -1.670425 -0.052692
C -5.389398 -0.018523 -0.680280
C -4.516760 -2.717089 -0.484677
C -6.228855 -1.064080 -1.097051
C -5.787790 -2.414685 -1.000666
H 1.153572 0.042466 -1.815751
H -0.583620 1.519578 -1.112274
H -0.033368 2.935384 -0.192014
H -1.526235 2.260936 1.470300
H 2.288272 -3.273861 -2.131286
H 3.433481 -4.033450 -0.974209
H 1.663385 -4.255729 -0.776048
H 2.553671 -1.810995 1.980968
H 1.784981 -3.387982 1.617148
H 3.569567 -3.205092 1.484796
H 1.964269 4.081580 0.253425
H 5.653899 1.005232 -1.345443
H -0.519044 -2.344659 -0.792115
H 4.251963 4.991063 -0.241743
H 6.083547 3.473921 -1.002780
H -0.645268 -1.233812 1.308595
H -5.697629 1.029677 -0.749491
H -4.162132 -3.747916 -0.392992
H -7.223333 -0.842874 -1.497883
H -6.447525 -3.225191 -1.328661


