%chk=000208667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208667

0 1
S -5.360225 1.410467 -0.315305
O 4.279508 1.994040 0.391680
O 1.840725 -3.745241 1.297421
O 1.473552 -3.967970 -0.824902
N 1.191550 -3.556885 0.284524
C -0.064115 -1.536822 -0.521075
C -0.102775 -2.744432 0.450688
C -1.368150 -0.767289 -0.435481
C 1.109230 -0.610183 -0.280703
C -1.271098 -3.683491 0.183009
C -1.688188 -0.003180 0.695538
C -2.271254 -0.822860 -1.510029
C 1.647607 -0.391461 1.001774
C 1.656978 0.069769 -1.377033
C -2.899529 0.691888 0.760122
C -3.478205 -0.123443 -1.455448
C 2.708518 0.483883 1.188488
C 2.724599 0.957802 -1.218205
C -3.786356 0.627595 -0.315201
C 3.242533 1.157424 0.067950
C -5.218821 2.831318 0.817722
C 4.950427 2.719449 -0.690701
C -4.276116 3.875105 0.264030
C 6.032149 3.493152 0.036040
H 0.041927 -1.963532 -1.560274
H -0.133576 -2.385854 1.514698
H -1.305487 -4.514580 0.900010
H -1.232199 -4.118436 -0.826692
H -2.229831 -3.148382 0.265493
H -0.988230 0.061285 1.528018
H -2.032019 -1.409180 -2.396597
H 1.241381 -0.920538 1.865792
H 1.248532 -0.089327 -2.376248
H -3.136184 1.274271 1.650020
H -4.167907 -0.164919 -2.300023
H 3.142032 0.656907 2.171350
H 3.131270 1.469782 -2.083081
H -6.252342 3.225986 0.912502
H -4.913207 2.493911 1.825373
H 4.209685 3.373847 -1.180700
H 5.356494 1.982405 -1.404543
H -3.249099 3.497243 0.161609
H -4.585762 4.224602 -0.731363
H -4.231269 4.758420 0.915609
H 6.709768 2.816981 0.577188
H 5.602569 4.169848 0.788174
H 6.632014 4.091523 -0.658715


%chk=000208667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208667

0 1
S -5.534482 1.432836 -0.397135
O 4.401076 2.001662 0.451582
O 1.786120 -3.805978 1.479767
O 1.567718 -3.954734 -0.785438
N 1.174480 -3.563278 0.374407
C -0.067156 -1.548172 -0.512173
C -0.149682 -2.774670 0.447320
C -1.393415 -0.773600 -0.461961
C 1.143307 -0.641478 -0.246770
C -1.286421 -3.756061 0.107515
C -1.730077 0.049682 0.641784
C -2.326316 -0.875426 -1.524813
C 1.695787 -0.432736 1.045938
C 1.716310 0.064425 -1.330608
C -2.961921 0.735545 0.694191
C -3.551657 -0.177679 -1.492875
C 2.773466 0.449313 1.243647
C 2.796847 0.955297 -1.153708
C -3.884039 0.628298 -0.375056
C 3.329159 1.150722 0.145839
C -5.336414 2.868613 0.827583
C 5.040284 2.733736 -0.660076
C -4.372411 3.957513 0.337318
C 6.178931 3.549049 -0.053563
H 0.041254 -1.969634 -1.530392
H -0.216399 -2.459208 1.501401
H -1.277423 -4.619244 0.795440
H -1.183790 -4.125866 -0.927429
H -2.256178 -3.241922 0.205926
H -1.018678 0.176222 1.465964
H -2.088372 -1.497163 -2.396863
H 1.309176 -0.974169 1.916509
H 1.311621 -0.083358 -2.339563
H -3.191223 1.348660 1.571812
H -4.247199 -0.253376 -2.335929
H 3.208673 0.600427 2.236140
H 3.211534 1.476484 -2.021337
H -6.367287 3.251560 0.921820
H -5.044274 2.454222 1.807386
H 4.291003 3.390079 -1.149452
H 5.418865 2.008378 -1.409526
H -3.355151 3.557544 0.183975
H -4.717955 4.384189 -0.619841
H -4.309694 4.776469 1.079647
H 6.911660 2.886980 0.438374
H 5.793040 4.258274 0.698485
H 6.698407 4.122471 -0.842761


