%chk=000214457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214457

0 1
S -4.389338 -1.370369 0.207219
O -5.508001 -0.911706 0.998790
O -4.179439 -2.785290 0.010548
O 4.540993 -2.066774 -0.533247
N 2.296272 -1.837682 -0.813795
N -2.983401 -0.695407 0.950209
N 2.927850 0.463750 1.072851
C 0.690019 -0.318722 0.332477
C 0.982398 -1.527985 -0.330724
C -1.652256 -0.990958 0.544243
C -0.620607 -0.062839 0.763384
C 1.733244 0.702936 0.634165
C -0.057720 -2.463666 -0.540338
C -1.349408 -2.208768 -0.109177
C 3.490277 -1.652528 -0.083553
C 3.391987 -0.915573 1.249521
C 1.347959 2.129981 0.433927
C 2.398370 -2.532647 -2.125122
C -3.166787 0.131445 2.169117
C -4.407840 -0.588156 -1.349082
C 0.752079 2.522925 -0.774896
C 1.592829 3.077514 1.438540
C 0.396502 3.859288 -0.970317
C 1.228941 4.412181 1.237042
C 0.630747 4.803694 0.035526
H -0.830013 0.881616 1.269729
H 0.159133 -3.415469 -1.029469
H -2.119541 -2.981829 -0.248614
H 2.780274 -1.497013 1.976472
H 4.424819 -0.849175 1.684315
H 3.426735 -2.416300 -2.526086
H 1.695002 -2.096429 -2.850376
H 2.204981 -3.613102 -2.025494
H -2.500066 -0.199683 2.983936
H -4.208491 0.053748 2.542570
H -2.963841 1.195506 1.958424
H -4.729123 0.463998 -1.303219
H -3.431767 -0.580552 -1.857501
H -5.097536 -1.073895 -2.058248
H 0.575563 1.787658 -1.559011
H 2.080168 2.772849 2.365782
H -0.059060 4.167554 -1.909738
H 1.420334 5.148633 2.016215
H 0.352560 5.844740 -0.120393


%chk=000214457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214457

0 1
S -4.059555 -1.922555 0.849162
O -4.539330 -1.434843 2.338801
O -3.201912 -3.300997 0.662482
O 4.566118 -2.198728 -0.079999
N 2.431873 -1.690203 -0.877406
N -3.080602 -0.362712 -0.231406
N 2.775003 0.282163 1.416296
C 0.699258 -0.173595 0.125106
C 1.072449 -1.322501 -0.653412
C -1.697430 -0.653470 -0.319582
C -0.674980 0.117012 0.299011
C 1.711742 0.722424 0.771780
C 0.046763 -2.084313 -1.286491
C -1.303984 -1.762517 -1.130985
C 3.415425 -1.736344 0.142635
C 2.978149 -1.181357 1.503304
C 1.509048 2.205968 0.724495
C 2.814637 -2.281389 -2.183422
C -3.470912 0.867061 0.508038
C -5.621158 -2.071369 -0.232108
C 0.803245 2.831434 -0.339388
C 2.077271 3.019625 1.742262
C 0.665111 4.236385 -0.380162
C 1.932140 4.420581 1.704074
C 1.223712 5.035716 0.643204
H -0.938142 0.982031 0.914130
H 0.319954 -2.953681 -1.890881
H -2.074289 -2.364151 -1.619988
H 2.059837 -1.714789 1.834012
H 3.793958 -1.384350 2.211683
H 3.898861 -2.140133 -2.309541
H 2.266862 -1.772418 -2.991798
H 2.611681 -3.368010 -2.221123
H -3.119527 0.908608 1.558326
H -4.570081 0.948729 0.515794
H -3.067104 1.738244 -0.040554
H -6.129926 -1.099226 -0.192604
H -5.271706 -2.319366 -1.242160
H -6.220627 -2.873928 0.219804
H 0.385015 2.222874 -1.148425
H 2.635253 2.528184 2.545031
H 0.130811 4.706707 -1.213197
H 2.369827 5.035240 2.498375
H 1.113060 6.125460 0.613429


