%chk=000205852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205852

0 1
S 5.624680 -0.697592 -1.051001
P 4.167903 -1.736361 -0.433763
O 2.173481 1.904692 0.309326
O 2.664436 -1.264137 -1.104609
O 4.052073 -3.292798 -0.912941
O 3.839230 -1.951164 1.140722
N 2.867623 0.698778 0.227673
C -4.269554 0.946260 -0.174401
C -3.248066 1.917611 0.432507
C -5.540759 0.863490 0.681409
C -1.979201 2.001910 -0.426231
C -6.562292 -0.108231 0.075145
C -0.957272 2.968312 0.184474
C -7.833709 -0.190552 0.930313
C 0.310880 3.103259 -0.675612
C -8.856498 -1.162530 0.325200
C 1.136567 1.878944 -0.643533
C -10.124159 -1.248430 1.172387
C 1.159926 0.690338 -1.329135
C 2.271437 -0.026771 -0.747049
C 4.241156 -3.545301 -2.349658
C 4.597278 -1.164621 2.121655
C 4.126299 -5.054509 -2.432900
C 5.928688 -1.828425 2.402619
H -4.528588 1.264325 -1.202617
H -3.818282 -0.060078 -0.274873
H -3.701568 2.921966 0.538380
H -2.987609 1.593965 1.459223
H -5.992931 1.868791 0.783528
H -5.282415 0.543501 1.709434
H -2.239691 2.322817 -1.453065
H -1.528408 0.994357 -0.530165
H -6.820525 0.209983 -0.953234
H -6.110856 -1.114219 -0.025229
H -0.682060 2.634281 1.205529
H -1.412862 3.971154 0.307616
H -7.577296 -0.509431 1.958888
H -8.286671 0.814247 1.032220
H 0.038823 3.344799 -1.727510
H 0.910197 3.971121 -0.314953
H -9.115608 -0.844006 -0.703451
H -8.405338 -2.169177 0.225186
H -10.617836 -0.274004 1.260361
H -10.847626 -1.944230 0.733057
H -9.907793 -1.598443 2.188152
H 0.527976 0.333669 -2.116495
H 5.239610 -3.183321 -2.663974
H 3.436532 -3.031711 -2.910008
H 3.898409 -1.232166 2.982459
H 4.688192 -0.106128 1.806297
H 4.206514 -5.407280 -3.467063
H 3.165159 -5.400275 -2.024604
H 4.909572 -5.546746 -1.839296
H 6.317840 -1.529575 3.384276
H 6.699658 -1.568498 1.662478
H 5.837534 -2.924260 2.408452


%chk=000205852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205852

0 1
S 5.987804 -0.604042 -1.015123
P 4.446150 -1.838195 -0.435512
O 1.978897 1.813977 0.494990
O 2.819811 -1.295312 -1.007283
O 4.325737 -3.418109 -1.078386
O 4.241399 -2.275044 1.201269
N 2.743852 0.563283 0.490364
C -4.379946 0.909636 -0.109856
C -3.347292 1.942236 0.395788
C -5.700674 0.919098 0.692264
C -2.037042 1.940461 -0.423781
C -6.737648 -0.102272 0.172628
C -1.024687 3.001994 0.058280
C -8.065356 -0.086100 0.963115
C 0.280360 3.054464 -0.791395
C -9.102052 -1.106347 0.439330
C 1.147293 1.841708 -0.643181
C -10.428417 -1.079263 1.229230
C 1.345166 0.684602 -1.376456
C 2.331027 -0.057955 -0.642351
C 4.385901 -3.585444 -2.565897
C 4.751803 -1.370883 2.292548
C 4.476533 -5.087966 -2.808175
C 6.167844 -1.774702 2.697470
H -4.601405 1.109192 -1.179525
H -3.933545 -0.105882 -0.069523
H -3.798864 2.956135 0.363976
H -3.114841 1.738305 1.461693
H -6.141905 1.937455 0.658909
H -5.483587 0.709878 1.760664
H -2.276872 2.125047 -1.492646
H -1.575673 0.933495 -0.375099
H -6.947366 0.102932 -0.898347
H -6.299829 -1.121767 0.212843
H -0.760257 2.819696 1.117988
H -1.497058 4.003578 0.015196
H -7.858945 -0.293051 2.034246
H -8.504170 0.933115 0.923394
H 0.017904 3.171042 -1.859184
H 0.871812 3.942538 -0.498578
H -9.304057 -0.901785 -0.632123
H -8.664407 -2.124714 0.483465
H -10.901736 -0.080577 1.174351
H -11.151038 -1.817646 0.835372
H -10.258131 -1.310013 2.297954
H 0.874841 0.392748 -2.310203
H 5.272111 -3.046591 -2.953439
H 3.468818 -3.147541 -3.000388
H 4.019850 -1.542500 3.098602
H 4.676184 -0.320291 1.961140
H 4.506233 -5.288163 -3.895257
H 3.600840 -5.604375 -2.380646
H 5.388589 -5.503748 -2.348420
H 6.482086 -1.177961 3.574808
H 6.882690 -1.588141 1.878104
H 6.207467 -2.842634 2.972389


