%chk=000215781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215781

0 1
O -4.199702 0.079218 0.124389
O -0.297608 -4.211447 1.642713
O 2.362107 1.654679 -2.730410
O -3.140848 1.933063 -0.638742
O -5.892919 2.360089 -0.744772
O 6.585454 1.216529 1.912803
O -7.692917 1.202843 2.210310
N -1.177054 -0.309335 -1.335607
C -0.493556 -1.241617 -0.514294
C -0.242537 0.632372 -1.842701
C 0.891911 -0.881464 -0.534311
C 1.020857 0.305893 -1.355002
C -2.617643 -0.295602 -1.570018
C -0.989318 -2.344757 0.199439
C 1.813447 -1.693461 0.153274
C -0.659425 1.743793 -2.712738
C 2.247190 1.045509 -1.678432
C -0.035159 -3.096862 0.878626
C 1.356379 -2.790894 0.858375
C -3.298645 0.736951 -0.677755
C 3.351036 1.061495 -0.676313
C -5.001768 0.890012 1.030309
C 4.682694 1.060948 -1.139143
C 3.089457 1.142476 0.696685
C -6.226793 1.435484 0.286747
C 5.740537 1.105372 -0.242517
C 4.135964 1.200601 1.620445
C 5.451990 1.176419 1.138385
C -7.176244 2.151549 1.273758
C -1.672005 -4.653344 1.750373
C 6.427127 1.301222 3.350566
H -3.051582 -1.312628 -1.389214
H -2.843800 -0.037213 -2.636811
H -2.043685 -2.579378 0.215475
H 2.878283 -1.454742 0.121064
H 0.218874 2.361140 -3.002034
H -1.384368 2.412707 -2.214657
H -1.104743 1.400699 -3.657407
H 2.036627 -3.441671 1.404339
H -4.370499 1.683582 1.468636
H -5.289741 0.158782 1.812713
H 4.871597 1.028394 -2.216247
H 2.055735 1.161294 1.052278
H -6.753693 0.622486 -0.267657
H 6.776001 1.096741 -0.574534
H 3.919040 1.266079 2.680420
H -7.991257 2.662723 0.731705
H -6.652755 2.888497 1.911061
H -1.574499 -5.531237 2.402666
H -2.057329 -4.937082 0.767042
H -2.284075 -3.879921 2.222901
H -5.075492 2.875300 -0.528539
H -8.402642 0.666457 1.800403
H 7.471470 1.318639 3.689496
H 5.906812 0.416445 3.728075
H 5.911611 2.226973 3.621681


%chk=000215781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215781

0 1
O -4.630678 -0.123534 -0.263930
O -0.479010 -4.328536 1.766717
O 2.399464 1.471632 -2.839271
O -2.908783 1.342102 0.324155
O -5.293588 2.900022 0.088028
O 6.860690 1.621566 1.723177
O -8.385968 1.203781 1.379199
N -1.137149 -0.369860 -1.244923
C -0.477572 -1.300689 -0.417701
C -0.202714 0.535955 -1.776437
C 0.916308 -0.976732 -0.429217
C 1.076856 0.199063 -1.288618
C -2.571461 -0.348656 -1.463981
C -1.024291 -2.394931 0.290706
C 1.801943 -1.832154 0.281860
C -0.630973 1.658449 -2.673466
C 2.309013 0.914180 -1.688643
C -0.111541 -3.205079 1.003652
C 1.287792 -2.929129 0.989557
C -3.345635 0.391304 -0.364896
C 3.464654 1.023014 -0.738231
C -5.521945 0.493740 0.774347
C 4.765489 1.245641 -1.274904
C 3.304919 1.021749 0.670538
C -6.209134 1.769947 0.281455
C 5.871945 1.429298 -0.435206
C 4.404922 1.225614 1.530535
C 5.695384 1.420760 0.974690
C -7.299700 2.194211 1.296820
C -1.898469 -4.676579 1.812644
C 6.738885 1.638434 3.184247
H -2.969103 -1.373349 -1.552324
H -2.794811 0.164555 -2.417008
H -2.097497 -2.606310 0.285600
H 2.879209 -1.645013 0.280739
H 0.235650 2.301299 -2.884254
H -1.435683 2.263176 -2.214155
H -0.990645 1.285785 -3.653306
H 1.945390 -3.602003 1.547882
H -4.914798 0.691024 1.678612
H -6.276036 -0.281336 0.979310
H 4.877060 1.278961 -2.363454
H 2.308319 0.883729 1.102118
H -6.684109 1.570949 -0.700488
H 6.877955 1.587743 -0.835310
H 4.246430 1.236094 2.612979
H -7.663008 3.199309 1.008903
H -6.883013 2.251870 2.317065
H -1.956686 -5.570011 2.451497
H -2.289377 -4.915221 0.803272
H -2.500774 -3.860188 2.259129
H -4.399565 2.679530 0.467156
H -8.972104 1.296405 0.587015
H 7.760806 1.805291 3.554434
H 6.355251 0.672816 3.566869
H 6.079386 2.461113 3.522114


