%chk=000297979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297979

0 1
S 3.420458 -0.817642 -0.676211
O 6.808072 1.021056 -0.578470
O 6.119422 -0.774189 -1.581241
N -1.235388 -0.296867 1.288601
N -0.008204 0.178510 1.018612
N 5.953280 0.194578 -0.853379
C -2.226402 0.774183 1.638270
C -2.809363 1.473178 0.433703
C -1.798482 -1.463453 0.603649
C -2.032932 2.394274 -0.284818
C -4.126501 1.209349 0.033666
C -2.057174 -2.600092 1.382576
C -2.067701 -1.451592 -0.773430
C -2.574165 3.049152 -1.393582
C -4.664712 1.869350 -1.075275
C -2.594941 -3.735365 0.769462
C -2.602948 -2.594817 -1.370946
C -3.890717 2.789034 -1.789418
C 0.901084 -0.532603 0.385876
C 2.238832 0.010149 0.303733
C -2.866280 -3.734562 -0.602585
C 2.790575 1.130674 0.888476
C 4.639449 0.349720 -0.291119
C 4.161315 1.328963 0.552340
H -1.721775 1.513974 2.307460
H -3.018401 0.284041 2.250955
H -1.005046 2.594480 0.021439
H -4.733068 0.489763 0.581173
H -1.837454 -2.596400 2.450297
H -1.871514 -0.556862 -1.365989
H -1.969698 3.764625 -1.949637
H -5.689322 1.665324 -1.382549
H -2.800233 -4.624803 1.364918
H -2.817337 -2.596624 -2.439631
H 0.731235 -1.512616 -0.084273
H -4.311702 3.302761 -2.652047
H -3.283296 -4.623425 -1.074781
H 2.241016 1.798087 1.543208
H 4.757317 2.159087 0.921964


%chk=000297979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297979

0 1
S 3.596275 -0.997426 -0.511200
O 6.955788 1.100637 0.040572
O 6.512069 -0.881226 -1.048413
N -1.338474 -0.286175 0.847445
N -0.040898 0.144803 0.835249
N 6.148384 0.159682 -0.353076
C -2.309859 0.724220 1.337950
C -2.917836 1.609442 0.248831
C -1.795012 -1.578649 0.380374
C -2.082930 2.362788 -0.616637
C -4.323882 1.706933 0.106944
C -1.279463 -2.759345 0.977530
C -2.775883 -1.667734 -0.638915
C -2.647858 3.193478 -1.608678
C -4.891269 2.544604 -0.881599
C -1.743762 -4.020988 0.550422
C -3.242494 -2.936465 -1.050512
C -4.053809 3.288105 -1.743624
C 0.930232 -0.582409 0.281392
C 2.276306 -0.065468 0.314931
C -2.726979 -4.114364 -0.463726
C 2.774062 1.111200 0.912269
C 4.768948 0.274399 0.000015
C 4.170093 1.301186 0.734063
H -1.748656 1.344032 2.059754
H -3.109000 0.193255 1.884258
H -0.994212 2.291999 -0.510157
H -4.977742 1.127348 0.771055
H -0.540014 -2.683639 1.782083
H -3.160333 -0.756113 -1.106076
H -1.994615 3.770063 -2.273057
H -5.980421 2.613879 -0.979347
H -1.347386 -4.929374 1.016703
H -4.001578 -3.002212 -1.837497
H 0.750574 -1.548309 -0.214963
H -4.490516 3.935678 -2.511922
H -3.087167 -5.095467 -0.790835
H 2.123104 1.793730 1.460859
H 4.743515 2.146303 1.118533


