%chk=000189810.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189810

0 1
S -2.253412 0.915448 -1.807411
O -2.041412 -0.526457 2.278393
O -6.473039 0.582208 0.355614
O -5.405672 2.375359 -0.464348
O 1.720325 1.498410 1.381518
O 4.129157 0.670153 -2.383128
N -3.090537 0.973736 0.709406
N 0.117111 0.520103 0.079715
N 3.801737 0.543429 -0.136178
C -2.140558 1.719069 -0.175997
C -3.676109 -0.218244 -1.384097
C -4.171125 0.259830 0.017112
C -0.960900 1.241200 0.724354
C -2.014035 0.325900 1.453717
C -4.702401 -0.058473 -2.483326
C -3.121944 -1.627761 -1.303253
C -5.343389 1.236580 -0.083625
C 1.443300 0.727698 0.481282
C 2.487744 -0.107377 -0.291335
C 2.534924 -1.525608 0.242669
C 2.415404 -1.787820 1.614413
C 2.727883 -2.581495 -0.659521
C 4.539811 0.928260 -1.263579
C 5.851466 1.629579 -0.973052
C 2.471451 -3.105102 2.077882
C 2.785605 -3.896239 -0.189326
C 2.654482 -4.160022 1.178023
C 5.620350 3.060288 -0.504639
H -2.319475 2.808479 -0.240135
H -4.498930 -0.622929 0.642697
H -0.558332 2.041313 1.402171
H -5.629499 -0.605300 -2.257227
H -4.977801 0.994044 -2.664384
H -4.339066 -0.444998 -3.447101
H -2.396988 -1.760199 -0.488666
H -3.920899 -2.366923 -1.141959
H -2.612249 -1.925030 -2.231671
H -0.126295 -0.117084 -0.680663
H 2.230694 -0.116092 -1.396883
H -7.283767 1.159179 0.352008
H 4.071470 0.794925 0.812613
H 2.277458 -0.969577 2.323426
H 2.846028 -2.378940 -1.724703
H 6.454716 1.627306 -1.909299
H 6.450241 1.062546 -0.232290
H 2.371637 -3.308219 3.143690
H 2.936642 -4.716019 -0.890368
H 2.697395 -5.185351 1.541972
H 5.052629 3.639768 -1.246072
H 6.573669 3.580858 -0.348051
H 5.063505 3.105193 0.439707


%chk=000189810-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189810

0 1
S -2.487968 0.571487 -1.893570
O -1.828140 -0.212841 2.398379
O -6.666267 0.276812 0.350213
O -5.517219 2.174437 -0.351642
O 1.588805 2.135654 1.287502
O 4.935428 0.437413 -1.707135
N -3.145732 0.938459 0.698496
N 0.081766 0.951697 -0.035308
N 3.757892 1.006673 0.207741
C -2.377835 1.673658 -0.335065
C -3.809133 -0.628192 -1.078143
C -4.270102 0.117286 0.256022
C -1.094093 1.532018 0.564780
C -1.993643 0.581137 1.459115
C -4.941228 -0.843275 -2.100105
C -3.115738 -1.957759 -0.711598
C -5.505326 0.992529 0.046479
C 1.356129 1.269578 0.389055
C 2.487503 0.478372 -0.306358
C 2.334522 -1.042945 -0.118605
C 1.807300 -1.595658 1.077024
C 2.764507 -1.910223 -1.153904
C 4.912563 0.967023 -0.549479
C 6.155880 1.576532 0.106218
C 1.708581 -2.995835 1.231209
C 2.665952 -3.311019 -0.997794
C 2.136851 -3.857707 0.194150
C 6.985170 2.406600 -0.897671
H -2.740125 2.677698 -0.585436
H -4.496037 -0.641827 1.023528
H -0.803506 2.454788 1.094034
H -5.744161 -1.458493 -1.653311
H -5.371671 0.112946 -2.442148
H -4.556051 -1.377330 -2.985863
H -2.349939 -1.824813 0.071661
H -3.864710 -2.685425 -0.342784
H -2.622306 -2.392686 -1.597384
H -0.059567 0.213438 -0.733988
H 2.465357 0.684562 -1.396697
H -7.467359 0.846990 0.189767
H 3.692690 1.557922 1.071003
H 1.463379 -0.939927 1.886528
H 3.209099 -1.478548 -2.057269
H 6.771608 0.734935 0.481027
H 5.876190 2.185279 0.987032
H 1.295842 -3.412214 2.156802
H 3.007327 -3.972856 -1.801536
H 2.060685 -4.944235 0.315752
H 7.197530 1.802714 -1.795878
H 7.941794 2.724542 -0.446520
H 6.436503 3.310230 -1.218230


