%chk=000266156.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266156

0 1
S 2.541344 -3.425259 -0.663895
S -3.578342 0.193258 2.229464
O 1.372616 -3.689579 -1.881542
O -2.150327 -0.665908 1.843674
O 2.049981 2.544751 0.926206
O 3.520614 -4.456637 -0.821418
O 1.778616 -3.332870 0.561887
O -3.901323 -0.176288 3.579075
O -4.492742 -0.137808 1.164025
O -0.142780 2.900939 1.410003
O 1.572100 3.093928 -3.314380
O 1.172011 3.896840 -1.347804
N -0.763342 -2.103597 -0.582823
N 1.195962 2.979330 -2.156350
C -0.977355 -3.197142 -1.560010
C -0.959623 -2.459762 0.848036
C -0.235732 -0.887092 -0.959934
C 0.125084 -4.274033 -1.508480
C -2.331461 -2.010376 1.365973
C 0.020889 0.127492 0.017948
C 0.053506 -0.586370 -2.326305
C 0.492049 1.365245 -0.362794
C 0.737998 1.663952 -1.720666
C 0.513356 0.663027 -2.691088
C 0.712589 2.376056 0.732437
C 3.128174 -1.887531 -1.176924
C -2.990111 1.801430 2.119043
C 2.485011 3.553997 1.902706
C 2.341175 3.009136 3.305973
H -1.032506 -2.777470 -2.595465
H -1.969105 -3.668063 -1.362524
H -0.144799 -2.008511 1.474720
H -0.828933 -3.558145 0.984445
H 0.186780 -4.758388 -0.514714
H -0.055064 -5.048574 -2.283238
H -3.111230 -2.017397 0.576573
H -2.652076 -2.634796 2.223613
H -0.198909 -0.079411 1.074334
H -0.106570 -1.348214 -3.091789
H 0.714034 0.897490 -3.745160
H 4.191761 -1.890252 -1.471500
H 3.033936 -1.094560 -0.412908
H 2.589650 -1.483149 -2.057177
H -3.017810 2.360844 3.069624
H -3.526110 2.428919 1.386202
H -1.923837 1.891889 1.797391
H 1.898497 4.474691 1.731272
H 3.535541 3.693089 1.586154
H 1.282630 2.886981 3.581075
H 2.820246 2.027591 3.413568
H 2.794741 3.682704 4.043965


%chk=000266156-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266156

0 1
S 2.480368 -4.034443 -1.224855
S -3.594853 0.108774 1.201610
O 0.882105 -3.731858 -2.207586
O -2.169128 -0.669706 2.177162
O 2.058706 2.914036 1.108457
O 3.211483 -5.383346 -1.725643
O 2.108835 -3.866553 0.348550
O -4.983799 -0.487393 1.780929
O -3.297728 -0.043619 -0.383938
O -0.212413 2.959722 1.642741
O 1.647328 3.164650 -3.221638
O 0.998607 4.076291 -1.227204
N -0.642268 -2.032278 -0.220819
N 1.186925 3.058354 -2.013978
C -1.239736 -2.994033 -1.162208
C -0.677575 -2.416325 1.203686
C -0.120179 -0.814118 -0.650996
C -0.329399 -4.193620 -1.505980
C -2.000502 -2.117101 1.939923
C 0.122982 0.247744 0.278756
C 0.182146 -0.567003 -2.033064
C 0.586223 1.502653 -0.139362
C 0.831298 1.732319 -1.519674
C 0.644768 0.684780 -2.452304
C 0.741031 2.555761 0.926698
C 3.381576 -2.511192 -1.901989
C -3.262810 1.861456 1.834595
C 2.330930 4.019693 2.085543
C 2.524249 3.458726 3.496129
H -1.552675 -2.469704 -2.078185
H -2.168303 -3.402099 -0.713144
H 0.165859 -1.947853 1.735958
H -0.495549 -3.506687 1.269767
H -0.049272 -4.734547 -0.579381
H -0.850409 -4.896789 -2.181959
H -2.869490 -2.526273 1.385911
H -1.985517 -2.590184 2.940164
H -0.123805 0.113587 1.333830
H 0.066088 -1.361492 -2.773242
H 0.853972 0.883284 -3.507062
H 3.423967 -2.655427 -2.989790
H 4.376890 -2.516905 -1.436299
H 2.773191 -1.642585 -1.619120
H -3.450493 1.814709 2.915618
H -3.985863 2.500554 1.308090
H -2.214942 2.111875 1.599840
H 1.491435 4.734195 2.038633
H 3.247517 4.484567 1.690431
H 1.589972 3.011342 3.874113
H 3.320928 2.695067 3.511347
H 2.818133 4.275391 4.181439


