%chk=000194940.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194940

0 1
S 1.479290 1.215258 0.124814
O 2.299879 1.928002 -0.841404
O 1.515870 1.604277 1.519018
O 6.432365 -0.326611 0.968600
O 3.136214 -2.731380 -2.180357
O 3.230786 -3.113529 0.027044
N 2.050240 -0.423505 0.124696
N -4.824807 -0.318651 -0.275560
C -0.119617 1.086448 -0.490562
C 3.113057 -0.781879 -0.833388
C -1.208275 0.598622 0.299092
C -2.475285 0.414485 -0.331534
C 4.509802 -0.232609 -0.502472
C -3.569786 -0.137835 0.436749
C -0.318342 1.446112 -1.810781
C -1.084652 0.306291 1.693941
C -2.644928 0.811723 -1.690284
C -1.590989 1.324490 -2.414110
C -3.402883 -0.423182 1.776026
C 5.036736 -0.633886 0.878439
C -2.152774 -0.178936 2.404581
C 3.163276 -2.313314 -0.872861
C -6.034391 -0.139684 0.578016
C -4.855253 -1.630958 -0.991743
H 2.818567 -0.402767 -1.858121
H 2.178476 -0.876160 1.044280
H 4.482267 0.878011 -0.599238
H 5.237600 -0.562258 -1.275290
H 0.511913 1.840454 -2.414717
H -0.141090 0.507953 2.215720
H -3.636558 0.717358 -2.147902
H -1.723210 1.639570 -3.448080
H -4.211262 -0.839094 2.373092
H 4.495937 -0.129817 1.698500
H 5.015568 -1.732393 1.037277
H -2.056049 -0.392041 3.471127
H -5.962578 0.818660 1.119475
H -6.213550 -0.941924 1.309023
H -6.914503 -0.073876 -0.084313
H -4.926351 -2.505517 -0.326723
H -3.946879 -1.743734 -1.605919
H -5.721570 -1.639385 -1.673332
H 6.573794 0.641249 0.947588
H 3.183947 -3.721239 -2.273203


%chk=000194940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194940

0 1
S 1.696116 1.050372 -0.626249
O 2.442381 1.703584 -1.914663
O 2.029043 1.662697 0.862886
O 4.419402 0.702398 1.978169
O 4.550807 -3.104662 -1.802025
O 2.875952 -3.294216 -0.200526
N 2.085228 -0.727717 -0.710104
N -4.799010 -0.272529 0.153700
C -0.173565 1.025935 -0.936065
C 3.477818 -1.067432 -1.100140
C -1.083652 0.550066 0.063034
C -2.479032 0.469797 -0.350827
C 4.631805 -0.396157 -0.276907
C -3.459018 -0.086811 0.572809
C -0.532276 1.493537 -2.193011
C -0.713770 0.203686 1.402827
C -2.858795 1.006086 -1.623469
C -1.918993 1.516759 -2.522871
C -3.053348 -0.379629 1.891488
C 4.532892 -0.567438 1.268849
C -1.700500 -0.218241 2.296953
C 3.560618 -2.585628 -0.971928
C -5.853928 -0.339695 1.177044
C -5.095533 -1.104058 -1.036267
H 3.613498 -0.796993 -2.160437
H 1.738358 -1.224987 0.129036
H 4.631424 0.682647 -0.520416
H 5.582466 -0.803253 -0.668055
H 0.234559 1.850226 -2.888537
H 0.316230 0.346074 1.741966
H -3.922807 1.055765 -1.870355
H -2.238151 1.940595 -3.479633
H -3.776593 -0.773157 2.611404
H 3.693299 -1.251455 1.532586
H 5.456518 -1.023494 1.661160
H -1.425178 -0.456577 3.330140
H -5.702850 0.447760 1.933854
H -5.902790 -1.326214 1.693325
H -6.831172 -0.167071 0.691598
H -5.401891 -2.128654 -0.730628
H -4.208071 -1.199332 -1.678356
H -5.917971 -0.662845 -1.630853
H 3.587312 1.171456 1.669649
H 4.623171 -4.088398 -1.664948


