%chk=000201650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201650

0 1
S 2.769030 4.162941 0.717553
S -4.075308 2.126414 -3.223439
O 0.468939 0.290142 2.887485
O -1.638848 2.106453 1.117984
N 2.146947 -1.599366 1.181475
N -1.463750 -1.006734 0.962798
N 3.570884 -0.817755 -0.432548
N -2.366392 -2.113487 -0.832019
N 3.236141 1.631787 0.111117
N -3.216155 -0.073052 -2.028755
N 1.595711 2.045701 1.855258
N -2.757965 2.010494 -0.895226
C 0.638629 -3.475845 -0.790957
C 2.063681 -3.895947 -1.167504
C 0.159771 -3.989488 0.571497
C 3.199421 -3.349824 -0.281168
C -1.281514 -3.565531 0.912373
C 2.999928 -1.933991 0.126003
C -1.688209 -2.243730 0.359249
C 2.122112 -0.200412 1.260162
C -2.020253 -0.035114 0.111006
C 3.026904 0.260782 0.266937
C -2.574145 -0.748483 -0.987936
C 1.317806 0.657850 2.090135
C -2.077849 1.403286 0.232611
C 2.514230 2.533124 0.910918
C -3.310129 1.323472 -1.982000
C 4.195191 2.133751 -0.904173
C -3.798095 -0.826259 -3.167561
C 0.767962 3.038541 2.597544
C -2.875567 3.496311 -0.896563
H 0.551689 -2.370987 -0.845826
H -0.060129 -3.840858 -1.577246
H 2.138216 -5.002050 -1.186454
H 2.248426 -3.565653 -2.214023
H 0.213199 -5.098560 0.586754
H 0.841129 -3.661054 1.381347
H 4.163253 -3.434763 -0.840027
H 3.327222 -3.991683 0.616894
H -1.433816 -3.591335 2.012392
H -1.987871 -4.332124 0.503135
H 1.572742 -2.218343 1.740049
H -0.995579 -0.782191 1.841721
H 3.680697 2.783106 -1.638974
H 4.659958 1.288673 -1.444954
H 4.994508 2.729149 -0.422069
H -4.886256 -0.635791 -3.243014
H -3.638204 -1.911710 -3.034166
H -3.329359 -0.512194 -4.120028
H 0.095295 3.577318 1.899940
H 1.403398 3.767459 3.128814
H 0.124949 2.513935 3.331538
H -3.936740 3.805709 -0.910262
H -2.375448 3.928105 -1.783278
H -2.399186 3.912810 0.011480


%chk=000201650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201650

0 1
S 3.138566 4.252866 1.120864
S -4.516365 1.950199 -3.300573
O 0.324687 0.277052 2.752907
O -1.351493 2.179071 0.717431
N 2.130751 -1.518664 1.115183
N -1.426986 -0.946149 0.823592
N 3.718855 -0.744338 -0.309419
N -2.577704 -2.142262 -0.739565
N 3.459814 1.662822 0.347977
N -3.503358 -0.199813 -1.972988
N 1.702489 2.071394 1.968536
N -2.830866 1.946620 -1.129750
C 0.614700 -3.400000 -0.892630
C 2.069065 -3.741377 -1.307962
C 0.126488 -4.016123 0.443312
C 3.208812 -3.267408 -0.339124
C -1.299821 -3.533121 0.910517
C 3.057702 -1.853908 0.139270
C -1.763019 -2.212472 0.356739
C 2.167690 -0.141863 1.288980
C -2.046556 -0.017330 -0.024055
C 3.160846 0.310296 0.413748
C -2.748404 -0.785501 -0.965514
C 1.324195 0.701805 2.067843
C -2.009728 1.419169 -0.055014
C 2.751863 2.583280 1.152069
C -3.573727 1.198953 -2.074530
C 4.528100 2.134833 -0.558700
C -4.239842 -1.055819 -2.926765
C 0.889216 3.043728 2.738763
C -2.879480 3.423873 -1.241290
H 0.504242 -2.299509 -0.853643
H -0.066098 -3.733008 -1.699387
H 2.181404 -4.836114 -1.437332
H 2.250988 -3.284497 -2.299167
H 0.097998 -5.118959 0.350233
H 0.857478 -3.830249 1.256680
H 4.176587 -3.353832 -0.860716
H 3.254018 -3.940951 0.538380
H -1.342081 -3.524871 2.015601
H -2.049307 -4.264612 0.564615
H 1.507263 -2.156215 1.606543
H -0.850548 -0.671039 1.648086
H 4.117214 2.866016 -1.273899
H 4.926818 1.254159 -1.084310
H 5.319096 2.636425 0.022787
H -5.320159 -0.845369 -2.862701
H -4.028783 -2.101986 -2.659962
H -3.913211 -0.837747 -3.956824
H 0.397354 3.740749 2.043930
H 1.541686 3.612025 3.420929
H 0.130050 2.469349 3.287283
H -3.920768 3.771987 -1.145366
H -2.504801 3.738738 -2.228967
H -2.251729 3.832694 -0.436648


