%chk=000289182.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289182

0 1
O 3.424023 -1.837283 -0.244789
O 0.868714 1.254230 -2.719613
O -7.093494 -0.966246 -1.583805
O 2.158987 1.986650 2.864011
O 4.646976 -1.183463 -2.034388
O 1.046815 0.280770 1.883344
N -4.929892 -0.890644 -0.869911
N 1.517713 -0.022420 -0.953139
C -3.146446 -0.625821 1.443982
C -4.670506 -0.552678 1.575359
C -2.684023 -0.397717 0.031663
C -5.333444 -1.390170 0.478765
C -3.562774 -0.536960 -1.075520
C -1.349092 -0.055991 -0.197017
C -0.871447 0.146529 -1.498372
C -3.078254 -0.326565 -2.383278
C 2.932505 0.328020 -1.137966
C -1.745125 0.018829 -2.588348
C 3.483178 1.249417 -0.030405
C 0.538567 0.532469 -1.789337
C -5.939050 -0.685541 -1.842403
C 3.416806 0.673702 1.385949
C 3.775717 -0.952263 -1.234286
C 2.074254 0.911043 2.021931
C 4.102039 -3.135611 -0.204118
C 0.947315 2.427161 3.561111
C 5.481145 -2.979490 0.399883
C 0.066193 3.207704 2.610116
H -2.675390 0.111515 2.126871
H -2.781991 -1.620193 1.783268
H -5.009393 0.500857 1.508110
H -4.991456 -0.912604 2.571139
H -6.447231 -1.349696 0.559155
H -5.039747 -2.460475 0.561309
H -0.673857 0.062052 0.660911
H -3.733089 -0.437793 -3.245925
H 3.041990 0.866062 -2.136620
H 4.539684 1.498223 -0.271172
H 2.940351 2.219306 -0.077141
H -1.371656 0.195982 -3.601837
H 1.285050 -0.568222 -0.115891
H -5.596324 -0.280957 -2.807062
H 3.615631 -0.427787 1.374729
H 4.217567 1.125662 2.012532
H 3.405056 -3.711397 0.432003
H 4.130327 -3.546002 -1.229522
H 1.386833 3.050231 4.361938
H 0.443757 1.539689 3.982633
H 5.966354 -3.953292 0.542628
H 5.448050 -2.478565 1.374379
H 6.135689 -2.383557 -0.255318
H 0.627215 4.001266 2.097932
H -0.359187 2.559790 1.829602
H -0.771134 3.682643 3.135834


%chk=000289182-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289182

0 1
O 3.226983 -1.931443 -1.060865
O 1.075687 -0.047726 -3.233269
O -7.148628 -1.103725 -1.730728
O 2.629133 2.400291 3.079256
O 5.046077 -0.600944 -0.472900
O 1.407159 0.978644 1.716099
N -4.924631 -1.124191 -0.971071
N 1.516000 0.199431 -0.966787
C -3.185013 -0.558451 1.323103
C -4.725483 -0.522944 1.413540
C -2.675047 -0.568011 -0.116760
C -5.330423 -1.515238 0.402593
C -3.538202 -0.861405 -1.215874
C -1.311799 -0.304838 -0.375472
C -0.778781 -0.324009 -1.687835
C -3.004121 -0.912601 -2.533454
C 2.931531 0.474443 -1.192015
C -1.648115 -0.635352 -2.763367
C 3.426237 1.780767 -0.510761
C 0.663598 -0.052521 -2.024489
C -5.920288 -0.882533 -1.919786
C 3.668737 1.765739 1.022607
C 3.851414 -0.715961 -0.848882
C 2.450375 1.660150 1.921422
C 4.051130 -3.163403 -0.838778
C 1.531923 2.358025 4.102499
C 3.973195 -3.605716 0.624657
C 0.486319 3.437340 3.812859
H -2.745493 0.298977 1.866306
H -2.813937 -1.470148 1.835431
H -5.106594 0.490928 1.189618
H -5.056046 -0.784298 2.435284
H -6.432327 -1.515880 0.421323
H -4.975203 -2.543553 0.608849
H -0.676050 -0.073785 0.488382
H -3.637029 -1.206156 -3.376227
H 3.024396 0.603312 -2.293266
H 4.400481 2.034837 -0.965316
H 2.718179 2.584819 -0.782983
H -1.223360 -0.670786 -3.771418
H 1.199003 0.252035 0.009917
H -5.532915 -0.445393 -2.861595
H 4.342482 0.919182 1.263786
H 4.215832 2.678159 1.315111
H 3.595516 -3.898687 -1.520328
H 5.090996 -2.949645 -1.142338
H 2.062602 2.537019 5.050770
H 1.086390 1.348101 4.095926
H 4.505235 -4.566907 0.751000
H 2.924284 -3.748293 0.936571
H 4.447206 -2.861439 1.286511
H 0.953713 4.435466 3.760561
H -0.036704 3.237231 2.862614
H -0.265123 3.451486 4.623869


