%chk=000216104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216104

0 1
S 2.099176 0.084902 -2.447377
O -0.083003 -0.007624 -1.023294
O 1.628357 -1.663998 1.554374
N -3.273911 -0.663746 -0.928033
N -0.608733 -1.362985 1.564742
C 0.886462 0.066163 0.031503
C -2.484482 -1.613206 -0.081016
C -1.875282 -0.778266 1.074341
C 0.663080 -1.079142 1.078374
C -2.868178 -0.757780 -2.372367
C -4.753231 -0.841151 -0.759598
C 0.862919 1.416276 0.736154
C 2.160225 -0.138246 -0.715224
C -0.754428 -2.487727 2.523748
C -3.297316 0.503358 -3.122016
C -5.194469 -0.410214 0.639252
C 0.331360 2.534854 0.080082
C 1.407795 1.554222 2.020352
C 3.413948 -0.479426 -0.312385
C 4.352836 -0.548268 -1.410479
C 0.316865 3.777950 0.718091
C 1.392958 2.799745 2.653680
C 3.797412 -0.266610 -2.620494
C 0.843361 3.911397 2.006840
H -1.662065 -2.091459 -0.662054
H -3.092332 -2.445791 0.324408
H -2.594995 -0.701337 1.918437
H -1.698577 0.273862 0.735880
H -1.754027 -0.845346 -2.416398
H -3.275630 -1.660523 -2.875306
H -5.258314 -0.195097 -1.514485
H -5.085250 -1.882907 -0.960981
H 0.241934 -2.896398 2.793028
H -1.349069 -3.306600 2.090930
H -1.235752 -2.136761 3.450144
H -4.384397 0.561055 -3.246415
H -2.986512 1.409039 -2.584945
H -2.843409 0.535700 -4.118927
H -4.861690 -1.109743 1.412809
H -4.788406 0.578287 0.892436
H -6.286439 -0.344681 0.700030
H -0.053300 2.438410 -0.936974
H 1.852854 0.692831 2.525242
H 3.692419 -0.705532 0.711713
H -0.953452 0.404640 -0.758334
H 5.390245 -0.805588 -1.246827
H -0.098242 4.644656 0.206203
H 1.815197 2.903530 3.652203
H 4.270697 -0.248901 -3.585728
H 0.832094 4.880377 2.502862


%chk=000216104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216104

0 1
S 0.869173 1.725693 -2.174504
O -1.090792 0.950689 -0.233884
O 1.168024 -1.686701 0.992306
N -2.822453 -0.808235 -1.016039
N -1.095268 -1.480783 1.418428
C 0.174224 0.456968 0.272373
C -3.370447 -1.150731 0.345428
C -2.396882 -0.780683 1.497690
C 0.106291 -0.988744 0.906959
C -2.279700 -2.037487 -1.701106
C -3.824127 -0.077928 -1.869517
C 0.636766 1.413072 1.414550
C 1.189484 0.487405 -0.878821
C -1.075415 -2.826962 2.031111
C -1.401544 -1.737296 -2.928638
C -4.101372 1.355986 -1.381786
C -0.132060 2.558152 1.728817
C 1.833972 1.159748 2.129624
C 2.382952 -0.175833 -1.121336
C 3.062236 0.258324 -2.320563
C 0.290114 3.440472 2.750258
C 2.249939 2.039116 3.152200
C 2.397128 1.266846 -2.997380
C 1.480402 3.184233 3.467536
H -3.622808 -2.230676 0.385075
H -4.311300 -0.595770 0.513932
H -2.875045 -1.074772 2.453149
H -2.232006 0.305442 1.512327
H -1.669858 -2.572300 -0.952032
H -3.123795 -2.709142 -1.982633
H -3.407594 -0.029014 -2.889679
H -4.769571 -0.664297 -1.927012
H -0.103828 -3.296267 1.818384
H -1.890802 -3.450477 1.618904
H -1.204467 -2.754218 3.128032
H -1.971488 -1.294850 -3.764412
H -0.574643 -1.053415 -2.670921
H -0.959468 -2.681276 -3.295629
H -4.556396 1.377347 -0.374974
H -3.168226 1.943377 -1.346532
H -4.805779 1.851046 -2.074444
H -1.042087 2.747107 1.153263
H 2.431731 0.273981 1.889640
H 2.743522 -0.962895 -0.459036
H -1.698472 0.187791 -0.677709
H 4.008740 -0.170083 -2.661456
H -0.308634 4.329637 2.980526
H 3.176354 1.832847 3.700491
H 2.674644 1.772700 -3.921060
H 1.807933 3.869052 4.258303


