%chk=000197484.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197484

0 1
O 0.898486 -2.052239 -0.001609
O -0.841912 -4.030539 0.665982
O -5.158212 3.333322 2.160891
O 7.928990 0.247890 -1.773619
N -2.726284 -0.917673 0.192787
N 6.031791 0.029729 -0.565589
C -1.176039 -2.664898 0.916199
C -1.964472 -2.105953 -0.289877
C 0.097292 -1.849127 1.202221
C -3.053089 0.027887 -0.922419
C -4.168642 0.962998 -0.515034
C 2.160755 -1.496040 -0.042544
C 4.161653 -1.305799 -1.387114
C 4.730272 -0.479429 -0.382799
C 2.862653 -1.815481 -1.205729
C 2.717891 -0.673009 0.962353
C 3.995529 -0.170123 0.790262
C -4.067899 1.686973 0.682754
C -5.285844 1.115604 -1.344075
C 4.942300 -1.602717 -2.576933
C -5.106852 2.558459 1.023838
C -6.312826 1.999699 -0.980480
C 6.186293 -1.106141 -2.733829
C 6.817456 -0.246959 -1.724230
C -6.240614 2.728687 0.200516
C -4.047597 3.253308 3.086598
H -1.809587 -2.727385 1.833210
H -2.603224 -2.912233 -0.710281
H -1.252051 -1.815703 -1.094566
H -0.125694 -0.772870 1.311346
H 0.651734 -2.242296 2.069876
H -3.597190 -1.229232 0.641993
H -3.305559 -0.492466 -1.873302
H -2.131806 0.625280 -1.130538
H 2.402589 -2.451701 -1.959972
H 2.155470 -0.431164 1.861391
H 4.438993 0.465460 1.556561
H -3.196093 1.554109 1.316758
H -0.127395 -4.092714 -0.010381
H -5.366576 0.555802 -2.271352
H 4.483748 -2.241580 -3.336056
H 6.440320 0.624204 0.158313
H -7.178779 2.114438 -1.633454
H 6.802024 -1.307278 -3.612485
H -7.024683 3.418105 0.501887
H -3.125435 3.587583 2.602786
H -4.358476 3.956240 3.870501
H -3.955807 2.238173 3.483144


%chk=000197484-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197484

0 1
O 0.621736 -2.319499 -0.035932
O -0.934204 -4.570392 0.422306
O -3.369911 3.565970 1.643280
O 7.343050 1.427476 -1.127709
N -3.023432 -1.448912 0.039161
N 5.367854 0.722795 -0.101012
C -1.447526 -3.236041 0.755130
C -2.327318 -2.680958 -0.390709
C -0.298259 -2.288311 1.121356
C -3.665598 -0.679003 -1.054500
C -4.255709 0.635447 -0.554832
C 1.786246 -1.535455 0.018677
C 3.836107 -0.857599 -1.147746
C 4.178967 -0.013125 -0.038566
C 2.635669 -1.610341 -1.100917
C 2.129161 -0.697684 1.117358
C 3.316715 0.055463 1.083703
C -3.506105 1.447679 0.334828
C -5.527733 1.067450 -0.994427
C 4.747627 -0.900851 -2.277190
C -4.031180 2.686397 0.768762
C -6.044034 2.311822 -0.554362
C 5.907187 -0.158922 -2.294220
C 6.290495 0.717081 -1.176779
C -5.304986 3.124876 0.323950
C -2.042501 3.173233 2.118581
H -2.071367 -3.390718 1.655938
H -3.010469 -3.499109 -0.715568
H -1.679567 -2.428596 -1.252199
H -0.693034 -1.265263 1.272600
H 0.233818 -2.649769 2.022731
H -3.695992 -1.633700 0.797656
H -4.461005 -1.255737 -1.585142
H -2.877058 -0.470912 -1.806735
H 2.358505 -2.258410 -1.938902
H 1.481128 -0.630551 1.995285
H 3.574783 0.697013 1.934309
H -2.531780 1.080092 0.669880
H -0.175800 -4.441720 -0.206013
H -6.113029 0.438788 -1.675553
H 4.493163 -1.543807 -3.128274
H 5.626621 1.329200 0.683745
H -7.030141 2.645854 -0.895626
H 6.602613 -0.181740 -3.137445
H -5.685458 4.088032 0.677221
H -1.331086 3.055814 1.277681
H -1.714859 3.996776 2.770085
H -2.084702 2.231067 2.700033


