%chk=000254338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254338

0 1
S -2.183842 -2.620059 -0.000039
O -5.952765 0.427706 0.000109
O 3.873276 3.328897 0.001570
O 1.737847 3.011413 0.001527
O 6.321568 -2.318035 -0.000635
O 7.006714 -0.263351 0.000198
O -4.037688 1.631169 0.000395
N 0.723396 0.637517 0.000510
N 2.900823 2.602134 0.001313
N 6.133856 -1.113456 -0.000158
N -0.272488 -0.301771 0.000094
N -4.621195 -1.988265 -0.000106
N -3.909186 -3.008800 -0.000137
C 2.047562 0.200920 0.000302
C 3.113108 1.156194 0.000721
C 4.735525 -0.649034 -0.000009
C 4.452750 0.710149 0.000562
C 2.377154 -1.188908 -0.000308
C 3.686037 -1.607784 -0.000457
C -2.539601 -0.927376 0.000144
C -3.916412 -0.755115 0.000062
C -1.518431 0.099070 0.000296
C -6.729651 1.688990 0.000292
C -4.603774 0.552885 0.000157
C -8.160734 1.205250 0.000170
H 5.273216 1.452767 0.000891
H 1.564765 -1.924947 -0.000657
H 3.944728 -2.676444 -0.000917
H 0.517738 1.672245 0.000981
H -1.901630 1.146738 0.000841
H -6.447020 2.253360 -0.904701
H -6.447074 2.253066 0.905484
H -8.865477 2.045916 0.000218
H -8.376301 0.581671 -0.880120
H -8.376394 0.581490 0.880308


%chk=000254338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254338

0 1
S -2.211924 -2.908942 -0.000957
O -5.941352 0.425541 0.000083
O 3.698678 3.433951 0.001352
O 1.477035 2.941275 0.002011
O 6.508996 -2.175336 -0.000443
O 7.083158 0.036900 0.000377
O -3.902581 1.559441 0.001035
N 0.683406 0.456015 0.000466
N 2.739776 2.580677 0.001538
N 6.213918 -0.917176 -0.000013
N -0.254363 -0.543024 0.000132
N -4.764427 -2.012539 -0.001216
N -4.267925 -3.171792 -0.002138
C 2.033110 0.130885 0.000448
C 3.055916 1.145938 0.000815
C 4.780498 -0.552440 0.000136
C 4.424536 0.800861 0.000629
C 2.447714 -1.237596 -0.000013
C 3.799338 -1.580278 -0.000177
C -2.564614 -1.175901 -0.000508
C -3.957377 -0.872637 -0.000416
C -1.525918 -0.164539 0.000086
C -6.651869 1.748235 0.000771
C -4.560471 0.482147 0.000295
C -8.143232 1.436490 0.000425
H 5.187372 1.583720 0.000919
H 1.668578 -2.002255 -0.000284
H 4.122746 -2.624392 -0.000558
H 0.462988 1.476155 0.000486
H -1.862196 0.885320 0.000329
H -6.329740 2.309785 -0.894535
H -6.329937 2.308741 0.896801
H -8.718323 2.380150 0.000947
H -8.425467 0.856961 -0.894503
H -8.425648 0.855862 0.894584


