%chk=000219031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219031

0 1
S -0.533426 -2.371450 -0.463138
O -0.609919 -3.479724 -1.445123
O 4.777322 2.438751 -0.653415
O -3.710089 1.927231 1.504665
N 2.093964 -1.734878 -1.056291
N 1.346026 -1.522813 1.230526
N -3.038123 -0.494649 -1.834751
C 1.287732 -2.391189 0.012076
C 2.717756 -0.598778 -0.464862
C 2.256940 -0.446425 0.881429
C -0.688461 -0.781329 -1.350720
C -2.013065 -0.208981 -0.981069
C 3.575369 0.323927 -1.050967
C 2.632665 0.649590 1.645908
C -2.196617 0.588702 0.177390
C 3.942830 1.423319 -0.250022
C 3.488288 1.596162 1.072008
C -3.497782 1.066736 0.424458
C -4.567772 0.782529 -0.443140
C -1.073687 0.933265 1.090008
C -4.273141 -0.008637 -1.571825
C -5.942033 1.298365 -0.200208
C 5.293298 2.403194 -2.006450
C -4.105964 1.239065 2.719258
H 1.567709 -3.454338 0.187721
H 2.658113 -2.342667 -1.646123
H 1.659224 -2.031589 2.065037
H -0.611258 -0.958582 -2.447395
H 0.141984 -0.092753 -1.101393
H 3.920449 0.206149 -2.069799
H 2.275250 0.774852 2.666409
H 3.809913 2.470929 1.632538
H -1.366167 1.699863 1.824133
H -0.713699 0.051323 1.643035
H -0.207493 1.331993 0.539307
H -5.053609 -0.267709 -2.297053
H -6.611703 0.503246 0.155928
H -5.942744 2.101003 0.555502
H -6.385792 1.719298 -1.113524
H 5.893423 3.322423 -2.039560
H 4.472347 2.445836 -2.728198
H 5.921150 1.519598 -2.150370
H -3.316989 0.551608 3.037090
H -5.052860 0.714448 2.564701
H -4.220762 2.068388 3.426768


%chk=000219031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219031

0 1
S -0.406965 -1.228903 2.717053
O -0.147022 -2.032366 1.140806
O 3.103386 2.515946 -1.791238
O -5.116576 0.965615 0.281326
N 2.421150 -1.852518 0.594420
N 4.636213 -2.309465 0.527666
N -0.908113 1.084894 -0.169790
C 3.376512 -2.733359 0.929287
C 3.079429 -0.786546 -0.063962
C 4.483376 -1.062819 -0.111317
C -0.485663 0.617909 2.181413
C -1.462955 0.855458 1.063098
C 2.536905 0.400142 -0.612066
C 5.395913 -0.164561 -0.706956
C -2.876391 0.811762 1.273603
C 3.458193 1.291942 -1.205913
C 4.862566 1.014051 -1.251949
C -3.704438 0.973453 0.134385
C -3.154014 1.205276 -1.155538
C -3.468556 0.597325 2.649303
C -1.744589 1.262487 -1.231223
C -4.028322 1.397193 -2.375448
C 1.671933 2.835280 -1.854652
C -5.724685 -0.375825 0.177508
H 3.202274 -3.669859 1.453569
H 0.882072 -1.965443 0.915689
H 5.510254 -2.811172 0.672220
H 0.524178 0.922915 1.869682
H -0.766740 1.128400 3.120273
H 1.457844 0.595228 -0.559286
H 6.471686 -0.361861 -0.750811
H 5.509712 1.755338 -1.729970
H -4.561572 0.730158 2.627125
H -3.224686 -0.414759 3.022731
H -3.052588 1.317382 3.378968
H -1.263991 1.453230 -2.199599
H -4.446981 0.435765 -2.730836
H -4.883900 2.055619 -2.146209
H -3.451464 1.835064 -3.208473
H 1.620845 3.832494 -2.315902
H 1.209498 2.848074 -0.850819
H 1.134882 2.096534 -2.480560
H -5.319434 -1.056040 0.951121
H -5.546585 -0.816986 -0.822300
H -6.803996 -0.227147 0.334072


