%chk=000216906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216906

0 1
S 5.585357 1.216664 -0.109797
O -1.147336 1.758842 -0.207586
O 5.432142 -2.583359 0.497659
O 7.057858 -1.161955 0.275894
N -2.520690 1.667070 -0.199096
N 0.758024 0.261204 0.029018
N 5.874293 -1.464519 0.320514
C -4.252736 -0.093590 0.065457
C -2.867483 0.380840 -0.003861
C -1.668862 -0.431179 0.125593
C 3.039245 0.941399 -0.072219
C -0.620847 0.446765 -0.004580
C -4.572980 -1.386936 -0.381311
C -5.260851 0.741151 0.576550
C 3.573703 -0.377911 0.140699
C 1.604393 1.239301 -0.123817
C 4.947636 -0.370179 0.142892
C -5.892154 -1.839567 -0.309777
C -6.577550 0.279048 0.645005
C 4.022678 1.901785 -0.223648
C -6.894533 -1.009629 0.204209
H -1.632766 -1.490137 0.299682
H -3.797138 -2.033267 -0.789730
H -5.014186 1.748907 0.915352
H 2.945451 -1.258381 0.280380
H 1.345163 2.300086 -0.293350
H 3.872798 2.960110 -0.393761
H -6.140575 -2.841685 -0.656869
H -7.358227 0.926860 1.042023
H -7.921826 -1.367037 0.259273


%chk=000216906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216906

0 1
S 5.706631 1.314842 0.025106
O -1.141569 1.797879 0.129608
O 5.344219 -2.671287 -0.078140
O 7.161965 -1.268188 -0.063488
N -2.593990 1.696018 0.143823
N 0.758057 0.260611 0.060173
N 5.886445 -1.499069 -0.053209
C -4.262503 -0.115245 0.108121
C -2.862315 0.354251 0.106249
C -1.654035 -0.426537 0.068369
C 3.061618 0.962019 0.050590
C -0.600669 0.477176 0.083254
C -4.561575 -1.503089 0.070247
C -5.332038 0.821598 0.147702
C 3.621759 -0.369044 0.007509
C 1.631080 1.249646 0.076778
C 5.003090 -0.353277 -0.010429
C -5.901418 -1.945869 0.071821
C -6.668180 0.376004 0.149202
C 4.047621 1.958620 0.064279
C -6.959565 -1.009128 0.111282
H -1.554664 -1.507252 0.034621
H -3.752385 -2.240920 0.039416
H -5.100448 1.891100 0.176821
H 3.013091 -1.273994 -0.008859
H 1.328561 2.311578 0.110148
H 3.901835 3.038636 0.095220
H -6.119065 -3.018976 0.042246
H -7.484087 1.106229 0.179840
H -7.999464 -1.353629 0.112500


