%chk=000270147.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270147

0 1
S -6.199226 0.231289 -0.466010
O -6.343899 1.209559 -1.525248
O -6.997326 -0.979683 -0.444302
O 1.729162 -1.480059 -0.290853
O 2.813338 -0.256095 1.826605
O 0.679948 0.497924 -0.880776
N -6.528721 1.060338 1.013292
N -0.492022 -1.404510 -0.112188
C -4.529959 -0.227996 -0.370850
C -3.532038 0.646400 -0.814650
C -4.180320 -1.490540 0.119966
C -1.842537 -0.973678 -0.221997
C -2.187956 0.290452 -0.736283
C -2.844840 -1.874247 0.206800
C -5.871740 2.378021 1.165368
C -6.496551 0.222190 2.232875
C 5.615794 0.035666 -0.603067
C 3.000229 -0.898376 -0.418434
C 7.037220 0.521474 -0.698543
C 3.611498 -0.301820 0.714047
C 4.927262 0.159468 0.615910
C 4.993777 -0.547598 -1.716764
C 3.677255 -1.010999 -1.629845
C 0.629487 -0.633795 -0.474564
C 7.165916 1.973830 -0.335679
C 3.341241 0.412484 3.001705
C 8.192710 2.470173 0.350452
H -3.805384 1.620428 -1.239462
H -4.964576 -2.192376 0.431317
H -1.412579 0.984381 -1.079771
H -2.586925 -2.858331 0.590233
H -6.030887 2.973522 0.244288
H -4.792646 2.325308 1.379558
H -6.353804 2.938790 1.986115
H -7.103421 -0.689501 2.064086
H -6.974825 0.765248 3.067597
H -5.485060 -0.071163 2.555080
H 7.441822 0.379379 -1.726341
H 7.681581 -0.114589 -0.050814
H 5.425383 0.619488 1.465339
H -0.315015 -2.350937 0.246654
H 5.528414 -0.636548 -2.660240
H 3.178941 -1.459461 -2.489796
H 6.350531 2.606227 -0.694830
H 3.557442 1.461236 2.777557
H 2.498350 0.324007 3.700096
H 4.220728 -0.118603 3.376339
H 8.289597 3.519724 0.589441
H 9.015934 1.878802 0.722786


%chk=000270147-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270147

0 1
S -6.288927 0.367183 -0.375738
O -6.420299 1.629414 -1.391886
O -7.168142 -0.994662 -0.509568
O 1.779392 -1.582843 -0.530522
O 2.631784 0.070929 1.480959
O 0.793620 0.528971 -0.983669
N -6.735852 1.067406 1.334072
N -0.450523 -1.380164 -0.316754
C -4.472247 -0.151567 -0.359404
C -3.494571 0.786780 -0.732454
C -4.157340 -1.472929 0.005783
C -1.788252 -0.923978 -0.345117
C -2.138914 0.402496 -0.724180
C -2.804026 -1.855912 0.011939
C -5.990157 2.318251 1.600850
C -6.620506 0.019589 2.373201
C 5.766295 -0.112936 -0.612277
C 3.100932 -1.051139 -0.572443
C 7.216143 0.378128 -0.615159
C 3.561784 -0.209217 0.476733
C 4.892540 0.262362 0.440421
C 5.290082 -0.964762 -1.635949
C 3.955090 -1.430440 -1.615644
C 0.695345 -0.663807 -0.635783
C 7.368334 1.847607 -0.266989
C 3.024211 1.030723 2.517208
C 8.141381 2.332257 0.737397
H -3.789978 1.790675 -1.054590
H -4.952717 -2.186623 0.243265
H -1.356055 1.106875 -1.012041
H -2.534087 -2.883277 0.284091
H -6.039193 2.959199 0.704875
H -4.928215 2.160233 1.897441
H -6.510962 2.841900 2.423121
H -7.109983 -0.898572 2.008173
H -7.177854 0.373479 3.259580
H -5.572955 -0.203270 2.679514
H 7.645706 0.194312 -1.620228
H 7.815899 -0.223170 0.097355
H 5.269137 0.925778 1.225621
H -0.281555 -2.348202 -0.033479
H 5.954796 -1.259042 -2.455407
H 3.565514 -2.079630 -2.405715
H 6.800632 2.547528 -0.898881
H 3.282414 2.010437 2.073011
H 2.139221 1.133767 3.161473
H 3.877928 0.651242 3.111122
H 8.226922 3.407745 0.928544
H 8.719513 1.665781 1.390327


