%chk=000218445.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218445

0 1
S 0.112086 0.280952 1.407943
O 0.895700 2.629419 -1.680001
O -1.597696 2.603151 -0.845270
O 6.328598 -1.024182 0.163740
N -1.810865 0.322209 -0.917935
N -5.328938 0.488959 0.473359
C 1.177458 1.289226 0.312123
C 0.476244 1.429155 -1.046598
C -3.301972 0.438188 -0.888172
C -1.058114 1.509552 -0.871132
C -1.245240 -0.962283 -0.610235
C -0.291032 -1.104672 0.414517
C 2.543552 0.687424 0.258211
C -3.833474 0.445852 0.560986
C -1.644193 -2.094769 -1.344319
C 0.271584 -2.348951 0.700385
C 3.576436 1.271543 1.010529
C 2.815617 -0.459394 -0.513047
C -1.085178 -3.338494 -1.046134
C -0.129928 -3.470457 -0.030727
C -5.949126 -0.184504 1.652964
C -5.815423 1.897033 0.366090
C 4.862594 0.728447 1.006875
C 4.087934 -1.020473 -0.534850
C 5.098888 -0.414338 0.230916
H 1.211146 2.301579 0.799317
H 0.777529 0.638635 -1.776377
H -3.588112 1.381329 -1.412414
H -3.748229 -0.401739 -1.463180
H -3.505931 -0.477380 1.084894
H -3.392343 1.295867 1.125493
H -2.380830 -2.000327 -2.142067
H 1.019435 -2.445916 1.491781
H 3.379865 2.162221 1.609026
H 2.022341 -0.921327 -1.104148
H 0.353496 3.404988 -1.363643
H -1.394781 -4.216630 -1.615357
H 0.300512 -4.446284 0.188913
H -5.646881 -1.244008 1.661535
H -7.045302 -0.163893 1.539915
H -5.696087 0.258942 2.626952
H -5.628857 2.520566 1.252860
H -6.899754 1.883249 0.172275
H -5.335991 2.385300 -0.498245
H 5.655098 1.185651 1.589954
H 4.316516 -1.904080 -1.126712
H 7.007549 -0.554637 0.707208


%chk=000218445-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218445

0 1
S 0.138998 -0.340675 1.517947
O 1.036782 2.195600 -1.673863
O -1.503165 2.436237 -0.893293
O 6.763039 -0.225714 0.287712
N -1.880495 0.133977 -0.869509
N -5.325388 0.701567 0.661750
C 1.130770 0.941000 0.429593
C 0.479892 1.042244 -0.978089
C -3.351699 0.370638 -0.823384
C -1.050870 1.242373 -0.881854
C -1.379125 -1.209529 -0.742430
C -0.423196 -1.552767 0.258590
C 2.608617 0.636351 0.401384
C -3.858375 0.502555 0.633597
C -1.863771 -2.216996 -1.614921
C 0.027231 -2.891395 0.364248
C 3.526455 1.517807 1.021044
C 3.119363 -0.523196 -0.243965
C -1.422403 -3.549982 -1.489454
C -0.475219 -3.891751 -0.495785
C -5.940966 0.243813 1.924840
C -5.726427 2.086601 0.330329
C 4.914669 1.262393 1.001792
C 4.497714 -0.793812 -0.272016
C 5.397820 0.102718 0.352215
H 0.935140 1.889400 0.960364
H 0.727177 0.150230 -1.577932
H -3.552522 1.294726 -1.389119
H -3.874540 -0.469144 -1.308033
H -3.621210 -0.432194 1.174565
H -3.304452 1.329283 1.139470
H -2.576446 -1.945442 -2.400785
H 0.765782 -3.136424 1.134134
H 3.155028 2.422254 1.516691
H 2.431868 -1.229912 -0.723196
H 0.385678 2.941355 -1.516841
H -1.805969 -4.314741 -2.173004
H -0.124437 -4.924164 -0.396147
H -5.690569 -0.817369 2.100184
H -7.040508 0.326601 1.850660
H -5.612895 0.831235 2.819426
H -5.384552 2.831939 1.091880
H -6.827352 2.144307 0.260090
H -5.310063 2.388078 -0.645500
H 5.610333 1.962180 1.482945
H 4.897425 -1.683360 -0.767519
H 7.312736 0.461804 0.739389


