%chk=000208256.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208256

0 1
O -7.105554 0.958360 -0.702025
O -1.298666 -0.186761 1.033553
O 0.541611 -2.432931 1.110007
O -0.402723 2.115578 -0.595369
N -4.538923 0.162264 0.268902
C -5.333255 -0.728720 -0.641278
C -5.468528 0.976114 1.120744
C -3.601406 -0.640917 1.118492
C -6.235540 0.150868 -1.521236
C -6.371325 1.811849 0.198443
C -2.332732 -0.951862 0.316907
C -0.087217 -0.168460 0.350983
C 2.380620 -0.132243 -1.022259
C 0.813898 -1.254743 0.442293
C 0.294711 0.956492 -0.412042
C 3.684991 -0.131673 -1.776398
C 2.032724 -1.246542 -0.242906
C 1.528336 0.969996 -1.097423
C 4.866678 -0.052792 -0.845229
C 5.824203 -1.076939 -0.826555
C 5.020363 1.059232 -0.001756
C 6.928569 -0.985075 0.026194
C 6.124728 1.144016 0.848268
C 7.082306 0.123653 0.863276
C 0.033045 -2.306388 2.465338
C -1.675261 2.293933 0.083670
H -5.953854 -1.467936 -0.089909
H -4.627714 -1.301866 -1.278883
H -4.859234 1.649808 1.760144
H -6.095305 0.354222 1.795413
H -4.051799 -1.574855 1.514284
H -3.301884 -0.037550 2.011294
H -5.646585 0.811846 -2.181403
H -6.952172 -0.444988 -2.112969
H -7.178115 2.321250 0.753855
H -5.789765 2.541723 -0.391980
H -2.373578 -0.601308 -0.728639
H -2.043547 -2.014775 0.350502
H 3.738127 -1.041982 -2.413260
H 3.730375 0.717418 -2.494000
H 2.702589 -2.098447 -0.150575
H 1.787644 1.852403 -1.677652
H 5.711003 -1.945444 -1.471363
H 4.271134 1.849873 -0.006247
H 7.670023 -1.782133 0.037725
H 6.239826 2.006834 1.502266
H 7.941973 0.192722 1.525617
H -0.238291 -3.339832 2.704746
H 0.841849 -1.946159 3.107912
H -0.832402 -1.635119 2.507654
H -2.436021 1.661371 -0.389662
H -1.582579 2.055634 1.148056
H -1.868649 3.358182 -0.085720


%chk=000208256-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208256

0 1
O -6.792722 1.251695 -0.937886
O -1.542601 -0.171745 0.997726
O 0.492958 -2.091232 1.599669
O -0.901226 1.891188 -1.029441
N -4.534053 -0.039896 0.360608
C -5.012213 -0.479596 -0.976717
C -5.665414 0.515405 1.150001
C -3.793758 -1.098496 1.088371
C -5.670331 0.697626 -1.713689
C -6.313392 1.681639 0.385544
C -2.375699 -1.327325 0.564803
C -0.279392 -0.108064 0.354555
C 2.226896 -0.075847 -1.013674
C 0.737902 -1.059441 0.658394
C -0.006346 0.899821 -0.612338
C 3.545312 -0.082932 -1.786930
C 1.969785 -1.053716 -0.018865
C 1.243809 0.898124 -1.285321
C 4.799964 -0.128785 -0.915278
C 5.799722 -1.109169 -1.132418
C 5.001011 0.827161 0.114694
C 6.975181 -1.135065 -0.345654
C 6.173167 0.806925 0.900809
C 7.166727 -0.175401 0.673624
C 0.302726 -1.623404 2.990785
C -1.905220 2.429628 -0.081529
H -5.750825 -1.316662 -0.886121
H -4.157409 -0.843569 -1.575709
H -5.279266 0.881349 2.120249
H -6.444929 -0.260822 1.357471
H -4.338630 -2.077230 1.060978
H -3.716985 -0.799624 2.150628
H -4.913606 1.490107 -1.899286
H -6.107314 0.371855 -2.671861
H -7.204600 2.057494 0.914770
H -5.574561 2.504080 0.267482
H -2.344561 -1.398778 -0.539726
H -1.946527 -2.256070 0.988649
H 3.560041 -0.953754 -2.472143
H 3.578680 0.817286 -2.431730
H 2.718449 -1.807069 0.245109
H 1.414911 1.681762 -2.031090
H 5.657283 -1.857629 -1.922304
H 4.229147 1.583794 0.301734
H 7.736881 -1.901938 -0.527723
H 6.313641 1.554358 1.690307
H 8.076313 -0.192690 1.284625
H 0.112424 -2.532115 3.582654
H 1.222602 -1.125960 3.353229
H -0.554021 -0.928593 3.058809
H -2.739837 1.723472 0.063017
H -1.434375 2.651057 0.894290
H -2.247015 3.363991 -0.556348


