%chk=000189337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189337

1 1
O -2.215672 -0.301867 -1.324858
O -1.040331 0.834295 0.363975
O -5.094298 1.622327 1.029633
O -4.655109 -1.344786 1.163736
O -2.698041 2.996439 0.136968
O -4.641659 -2.790296 -1.221650
O -0.319320 -1.638906 0.912277
O 1.142894 2.741280 -0.477189
N 5.366252 -0.317936 0.489068
C -3.912317 0.923919 0.657465
C -4.235592 -0.476957 0.098293
C -3.124486 1.739403 -0.388373
C -2.963588 -1.174131 -0.433570
C -1.856926 0.970739 -0.832583
C -3.282526 -2.381107 -1.338252
C 0.280690 0.482757 0.138772
C 4.333010 -0.797353 -0.509306
C 2.939920 -0.345874 -0.246333
C 0.677654 -0.856303 0.420642
C 1.265454 1.412224 -0.254394
C 5.941145 0.991411 -0.014938
C 4.739336 -0.097601 1.852113
C 6.484663 -1.328990 0.647197
C 2.005827 -1.274289 0.228681
C 2.602020 0.980301 -0.476037
C 4.667856 -1.529011 -1.569815
C -0.029145 -3.033741 1.206567
C -0.046577 3.459572 -0.033498
H -3.352473 0.858007 1.626678
H -5.045363 -0.447161 -0.668138
H -3.746785 1.957765 -1.291712
H -2.292910 -1.435058 0.420757
H -1.292451 1.430523 -1.667846
H -2.620641 -3.235075 -1.112826
H -3.185583 -2.109412 -2.412155
H -5.722337 1.712761 0.277451
H -5.387997 -0.923140 1.674192
H -3.369439 3.330118 0.789003
H 6.684451 1.412922 0.685579
H 5.141296 1.751522 -0.149040
H 6.434682 0.867089 -0.996917
H 5.493713 0.180810 2.608887
H 4.215982 -1.006962 2.205647
H 3.981064 0.713970 1.830166
H 7.206708 -1.018397 1.426230
H 7.060746 -1.461754 -0.287428
H 6.089621 -2.320982 0.939379
H -4.870739 -2.970904 -0.272848
H 2.294528 -2.302573 0.413743
H 3.313016 1.712631 -0.853103
H 5.659169 -1.873974 -1.835375
H 3.913360 -1.850016 -2.294924
H -1.002362 -3.377525 1.591585
H 0.241203 -3.567602 0.291541
H 0.737720 -3.109921 1.981284
H 0.365805 4.433323 0.255811
H -0.720931 3.550793 -0.892916
H -0.553088 2.964203 0.806104


%chk=000189337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189337

1 1
O -2.218390 -0.206815 -1.430259
O -1.096771 0.888512 0.416104
O -5.322123 1.508867 0.947320
O -5.028961 -1.447822 0.698363
O -2.904933 3.021285 0.302380
O -4.549975 -2.655821 -1.843604
O -0.284465 -1.480707 1.403480
O 0.802907 2.575610 -1.047955
N 5.422249 -0.420663 0.442271
C -4.062690 0.840855 0.546341
C -4.326485 -0.489505 -0.166532
C -3.230423 1.766971 -0.360530
C -2.989830 -1.149842 -0.551063
C -1.935687 1.063760 -0.816331
C -3.190681 -2.468270 -1.337480
C 0.233217 0.515677 0.205875
C 4.286135 -0.858746 -0.529574
C 2.916668 -0.346166 -0.213163
C 0.681555 -0.738073 0.731010
C 1.159312 1.346095 -0.485025
C 5.551942 1.108158 0.415840
C 5.060974 -0.861881 1.865488
C 6.778808 -1.019376 0.085000
C 2.015013 -1.164300 0.522798
C 2.484395 0.902957 -0.713438
C 4.567287 -1.660777 -1.579814
C 0.100931 -2.786400 1.959259
C 0.275058 3.625002 -0.120831
H -3.542946 0.675888 1.504683
H -4.919468 -0.311099 -1.089831
H -3.810410 1.965647 -1.291219
H -2.389673 -1.317824 0.362047
H -1.377642 1.644787 -1.568463
H -2.898015 -3.321565 -0.693032
H -2.542316 -2.451844 -2.228752
H -5.882032 1.669327 0.140886
H -5.739782 -0.963820 1.194128
H -3.697930 3.295115 0.834930
H 6.349226 1.403796 1.115602
H 4.594478 1.553042 0.718386
H 5.805016 1.423743 -0.607157
H 5.840186 -0.500362 2.554448
H 5.009634 -1.960588 1.891234
H 4.084768 -0.435459 2.133315
H 7.512770 -0.673987 0.829259
H 7.082415 -0.676607 -0.914726
H 6.716238 -2.116878 0.111767
H -5.154300 -2.723137 -1.055388
H 2.339933 -2.146284 0.878103
H 3.133925 1.546123 -1.314609
H 5.553456 -2.056527 -1.834404
H 3.746431 -1.942704 -2.245665
H -0.811094 -3.168110 2.438679
H 0.423570 -3.482293 1.161649
H 0.899564 -2.675297 2.717316
H 0.142931 4.509083 -0.760964
H -0.689710 3.329061 0.322002
H 1.026836 3.831688 0.663243


