%chk=000217024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217024

0 1
S 3.759271 0.085006 -0.755173
O 3.995413 -1.164347 -1.455931
O 4.124006 1.357774 -1.350928
N -1.775540 0.101591 1.200219
N -4.373743 -0.026065 -0.094633
N 0.106860 -1.052338 0.328904
N 4.692763 -0.020743 0.689069
C -2.560220 -1.168019 1.159639
C -2.672389 1.290780 1.135850
C -3.465847 -1.221673 -0.086615
C -3.570594 1.241590 -0.117869
C -0.505415 0.160287 0.633490
C -5.293666 -0.079001 -1.268870
C 0.196803 1.393566 0.475955
C 2.140485 0.139746 -0.228634
C 1.514451 1.365485 0.052854
C 1.388372 -1.041120 -0.079517
H -3.174730 -1.203208 2.088874
H -1.879796 -2.050312 1.181110
H -2.085074 2.233840 1.158709
H -3.302985 1.277480 2.057400
H -2.843451 -1.310169 -1.003456
H -4.100284 -2.133545 -0.037487
H -4.280113 2.097472 -0.093851
H -2.954258 1.355935 -1.035313
H -4.798450 -0.073785 -2.251121
H -5.985265 0.778085 -1.223271
H -5.911254 -0.989770 -1.197716
H -0.295015 2.336667 0.698373
H 2.070043 2.302871 -0.075215
H 1.825939 -2.027566 -0.315528
H 5.190269 -0.888398 0.874193
H 5.295315 0.763387 0.926686


%chk=000217024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217024

0 1
S 4.107331 0.041278 -0.539438
O 4.410139 -1.425740 -1.186024
O 4.534580 1.438145 -1.266199
N -1.769394 0.103549 0.690594
N -4.559395 -0.041421 -0.011287
N 0.217267 -1.048096 0.205536
N 4.934814 0.129885 1.116821
C -2.495274 -1.185687 0.767106
C -2.651513 1.269919 0.883665
C -3.661435 -1.200738 -0.239036
C -3.816328 1.233073 -0.130221
C -0.415906 0.165216 0.413909
C -5.761136 -0.076960 -0.867048
C 0.315532 1.405251 0.340319
C 2.298859 0.117495 -0.131610
C 1.686859 1.373503 0.064213
C 1.544076 -1.066041 -0.063621
H -2.900793 -1.304098 1.791662
H -1.779000 -1.993780 0.559978
H -2.096131 2.212229 0.771439
H -3.072685 1.235440 1.908377
H -3.246842 -1.206061 -1.279526
H -4.243855 -2.130474 -0.101375
H -4.507702 2.069309 0.084806
H -3.404261 1.383747 -1.162045
H -5.529227 -0.014284 -1.959836
H -6.427293 0.765620 -0.608800
H -6.314449 -1.016042 -0.688420
H -0.171381 2.369775 0.495750
H 2.271527 2.295161 -0.016634
H 2.004333 -2.043146 -0.244591
H 5.250434 -0.821445 1.373067
H 5.720149 0.796919 1.018666


