%chk=000271670.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271670

0 1
S -0.271504 -1.447470 0.530161
O -0.868958 1.750162 -0.418340
O -3.659984 -2.086437 -1.182298
O -0.367072 -2.880910 0.699891
O -0.987459 -0.557809 1.431383
O -4.884726 1.247398 1.722987
O 5.434355 2.180217 -0.283336
N -0.978966 -1.091138 -1.016320
N -2.926748 1.558922 0.533319
N -4.280761 -0.434772 0.262781
N 5.480323 -0.110519 0.007382
C -2.144509 -0.202087 -1.112994
C -2.416850 0.224756 -2.585740
C -1.873607 1.081671 -0.290369
C -3.407187 -1.010478 -0.684790
C -1.218465 0.870893 -3.264644
C -4.080656 0.816150 0.924360
C 1.372710 -1.021950 0.361558
C -2.664729 2.805221 1.313498
C -5.460248 -1.231632 0.709692
C 1.768544 0.310874 0.182063
C 2.348072 -2.031422 0.418426
C 3.115493 0.641909 0.060050
C 3.696550 -1.723496 0.300573
C 4.088268 -0.372403 0.120004
C 6.086852 1.166203 -0.186609
C 7.584648 1.107593 -0.256247
H -3.282703 0.918746 -2.602175
H -2.734347 -0.671288 -3.163922
H -1.007917 -1.835046 -1.729883
H -0.847738 1.742843 -2.702975
H -0.371658 0.177067 -3.344643
H -1.471908 1.208999 -4.275548
H -2.070301 2.579498 2.216950
H -3.619328 3.266779 1.622845
H -2.098630 3.520059 0.690751
H -5.752667 -1.947274 -0.080336
H -6.311629 -0.562923 0.928820
H -5.215322 -1.799728 1.624164
H 1.014600 1.113676 0.133305
H 2.041964 -3.077397 0.560533
H 3.410030 1.689346 -0.081331
H 4.437356 -2.517317 0.349471
H 6.094204 -0.927193 0.077503
H 8.038314 0.724605 0.668491
H 7.991036 2.123831 -0.408998
H 7.948455 0.495269 -1.092862


%chk=000271670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271670

0 1
S -0.243546 -1.613574 0.304877
O -0.835902 1.740545 -0.424917
O -3.484616 -2.238184 -0.945848
O -0.252888 -3.241724 0.317175
O -1.050702 -0.772392 1.456283
O -4.971073 1.326502 1.660602
O 5.674801 2.222797 -0.101082
N -0.989647 -0.985359 -1.350999
N -2.946596 1.575134 0.509322
N -4.262125 -0.446883 0.331378
N 5.646127 -0.115826 0.122263
C -2.213361 -0.175338 -1.117657
C -2.711356 0.280960 -2.555474
C -1.901838 1.083097 -0.294610
C -3.354249 -1.049257 -0.543927
C -1.696752 1.116225 -3.356389
C -4.108750 0.851996 0.877676
C 1.558566 -1.085067 0.203579
C -2.716852 2.881024 1.177314
C -5.424179 -1.231018 0.820517
C 1.895468 0.270990 0.071055
C 2.508303 -2.117035 0.297995
C 3.261081 0.620999 0.039429
C 3.867419 -1.758895 0.268813
C 4.254177 -0.394418 0.142511
C 6.290833 1.124939 0.008342
C 7.815262 1.050468 0.025894
H -3.656133 0.843589 -2.418311
H -2.966131 -0.647356 -3.102192
H -1.278945 -1.880614 -1.807745
H -1.494219 2.089810 -2.880553
H -0.735868 0.584228 -3.445461
H -2.097100 1.301263 -4.369881
H -1.930586 2.776466 1.943344
H -3.659116 3.193687 1.646994
H -2.384791 3.617222 0.429498
H -5.465469 -2.160532 0.235584
H -6.345666 -0.642427 0.695633
H -5.295707 -1.466112 1.889593
H 1.119263 1.036641 -0.031528
H 2.186853 -3.158703 0.393726
H 3.568213 1.662290 -0.067267
H 4.630854 -2.542923 0.344544
H 6.257168 -0.931583 0.203484
H 8.192979 1.662832 0.862643
H 8.205493 1.496483 -0.904975
H 8.216501 0.027031 0.125350


