%chk=000201348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201348

0 1
S -1.840017 2.312091 -0.346577
O -1.419340 -1.405008 -0.056399
O -2.466101 3.749375 0.147644
O -2.359917 1.595900 -1.722722
N -6.799698 -0.408668 1.347135
C 2.828018 -2.553239 -0.292400
C 1.340879 -2.522465 0.124533
C 3.803395 -2.336584 0.885707
C 0.386579 -2.672201 -1.080155
C 5.286279 -2.312276 0.451349
C -1.099564 -2.685191 -0.712947
C 6.269448 -2.115514 1.627439
C -2.055383 1.016232 1.248368
C -3.094811 0.014934 0.947137
C -2.760291 -1.215380 0.289446
C 0.031018 2.575325 -0.506341
C 7.745936 -2.068272 1.178048
C -4.444973 0.267984 1.286907
C -3.765497 -2.161924 0.028917
C -5.469326 -0.671210 1.006974
C -5.100857 -1.896146 0.379694
C 0.787032 1.620828 -1.198110
C 0.583684 3.745572 0.038321
C 2.786523 3.008693 -0.790885
C 2.175939 1.847336 -1.332025
C 1.972799 3.952162 -0.109776
C 4.276498 3.253447 -0.952955
H 3.005226 -1.767747 -1.057090
H 3.056040 -3.522135 -0.785118
H 1.142302 -3.333193 0.856488
H 1.121583 -1.569828 0.643304
H 3.654600 -3.137764 1.639817
H 3.555286 -1.381455 1.393766
H 0.566158 -1.853461 -1.803300
H 0.605808 -3.619092 -1.615669
H 5.436864 -1.497560 -0.289223
H 5.531869 -3.258491 -0.075488
H -1.726848 -2.791629 -1.621892
H -1.330456 -3.518657 -0.015346
H 6.014208 -1.177969 2.162691
H 6.130961 -2.937287 2.359495
H -2.308351 1.758809 2.018791
H -1.037599 0.614470 1.333894
H 7.919538 -1.232700 0.473484
H 8.427681 -1.932054 2.037715
H 8.034123 -3.004603 0.663614
H -4.694843 1.219483 1.772410
H -3.528743 -3.113988 -0.459007
H -5.870905 -2.645401 0.159516
H 0.300125 0.740898 -1.629214
H -0.065661 4.472627 0.538049
H 2.791155 1.117210 -1.871043
H 2.429866 4.859187 0.303778
H -7.068839 0.495900 1.721530
H -7.536407 -1.061582 1.098343
H 4.466709 4.109418 -1.627895
H 4.753192 3.491722 0.015525
H 4.789402 2.373374 -1.377252


%chk=000201348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201348

0 1
S -1.795068 2.376075 -0.106451
O -1.415891 -1.322898 -0.167575
O -2.153111 3.802529 0.628157
O -2.572836 1.908510 -1.468421
N -6.755775 -0.448978 1.498734
C 2.846224 -2.249739 -0.282316
C 1.348790 -2.442076 0.046047
C 3.746536 -2.236359 0.973300
C 0.456537 -2.450555 -1.214385
C 5.237277 -1.979618 0.656223
C -1.042367 -2.539460 -0.914412
C 6.137157 -1.972412 1.913122
C -1.991722 0.926783 1.361081
C -3.059294 -0.021055 1.005523
C -2.757777 -1.182582 0.230230
C 0.057580 2.428971 -0.505183
C 7.623863 -1.708999 1.589593
C -4.395170 0.211102 1.414180
C -3.786900 -2.097034 -0.085866
C -5.440998 -0.690328 1.086685
C -5.109673 -1.853746 0.335964
C 0.558304 1.552162 -1.478801
C 0.853795 3.376562 0.158524
C 2.789518 2.545925 -1.126987
C 1.937567 1.618274 -1.781987
C 2.228578 3.424037 -0.160342
C 4.268167 2.619219 -1.465202
H 2.974596 -1.292802 -0.830647
H 3.184930 -3.053430 -0.969978
H 1.209528 -3.391659 0.604271
H 1.012912 -1.628371 0.717008
H 3.646421 -3.203949 1.508348
H 3.382799 -1.455215 1.673096
H 0.644598 -1.534345 -1.807114
H 0.724999 -3.310810 -1.861317
H 5.337079 -1.006296 0.130006
H 5.603322 -2.753589 -0.050850
H -1.633412 -2.586428 -1.851918
H -1.274701 -3.433515 -0.297342
H 5.768461 -1.200825 2.619648
H 6.037404 -2.945118 2.436646
H -2.200963 1.597491 2.206672
H -0.978908 0.501965 1.368721
H 7.752405 -0.731150 1.087592
H 8.244302 -1.702947 2.504665
H 8.026447 -2.486907 0.913464
H -4.617166 1.115362 1.994388
H -3.579283 -2.997835 -0.669916
H -5.896402 -2.571676 0.073820
H -0.116135 0.857070 -1.989659
H 0.398026 4.065015 0.878375
H 2.355329 0.948006 -2.542582
H 2.873222 4.154774 0.342689
H -7.000317 0.418666 1.965996
H -7.508584 -1.070339 1.219906
H 4.506856 3.559318 -1.997870
H 4.891649 2.596208 -0.552664
H 4.579571 1.781323 -2.111888


