%chk=000257102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257102

0 1
S 1.761439 0.188354 -1.634069
O -0.587852 1.955982 -0.741776
O 1.964513 0.287706 2.252037
N 0.189629 0.477524 0.901792
C 2.415135 -0.367317 -0.025811
C -0.577068 0.577183 -0.361174
C 2.404366 -1.900749 0.075911
C 3.831005 0.220409 0.064755
C 0.027156 -0.267671 -1.484738
C 1.543520 0.173238 1.112113
C -2.036087 0.210122 -0.109256
C 3.221118 -2.607914 -0.998385
C 3.878001 1.744003 0.104875
C -2.349866 -1.004446 0.517895
C -3.059550 1.073004 -0.520163
C -3.686197 -1.353557 0.726431
C -4.395527 0.718700 -0.308796
C -4.709739 -0.493538 0.312376
H -0.109781 -1.351924 -1.316285
H -0.475870 -0.038625 -2.448994
H 1.359212 -2.273769 0.050629
H 2.791365 -2.189125 1.080511
H 4.447940 -0.155218 -0.778088
H 4.309291 -0.177277 0.989951
H -0.301245 0.856101 1.726801
H 2.875372 -2.362170 -2.011241
H 4.284563 -2.345301 -0.946207
H 3.151107 -3.696917 -0.886406
H 3.326502 2.142932 0.967862
H 4.912969 2.095419 0.202716
H 3.466449 2.206657 -0.799110
H 0.315018 2.292825 -0.948101
H -1.555634 -1.672042 0.851035
H -2.806031 2.023726 -0.998626
H -3.931132 -2.295430 1.214743
H -5.190625 1.391154 -0.627598
H -5.750766 -0.768351 0.476593


%chk=000257102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257102

0 1
S 1.717720 0.075041 -1.827472
O -0.514563 1.983848 -0.755970
O 1.976039 -0.092073 2.255408
N 0.179229 0.345110 0.892754
C 2.418674 -0.446847 -0.100808
C -0.606533 0.582839 -0.339946
C 2.560143 -2.002990 -0.047584
C 3.793906 0.264616 0.048602
C -0.082643 -0.333920 -1.470870
C 1.502252 -0.032288 1.077827
C -2.086874 0.289166 -0.061558
C 3.574521 -2.610920 -1.036540
C 3.735462 1.800341 0.183486
C -2.449997 -0.867908 0.673360
C -3.098142 1.129320 -0.585325
C -3.811248 -1.177623 0.887376
C -4.459119 0.817804 -0.368484
C -4.820409 -0.335472 0.365824
H -0.184929 -1.399447 -1.211838
H -0.639181 -0.125696 -2.397471
H 1.564648 -2.458575 -0.219842
H 2.847448 -2.256879 0.991860
H 4.422085 -0.009829 -0.819770
H 4.272207 -0.162123 0.950062
H -0.274874 0.648997 1.761811
H 3.349894 -2.307474 -2.074753
H 4.610272 -2.309753 -0.801531
H 3.531243 -3.714069 -0.985887
H 3.174142 2.098201 1.086408
H 4.757414 2.210317 0.275477
H 3.261717 2.269308 -0.697782
H 0.402332 2.102864 -1.137906
H -1.670495 -1.517164 1.089382
H -2.802994 2.024240 -1.139042
H -4.083121 -2.070600 1.461002
H -5.236855 1.477152 -0.769627
H -5.876672 -0.573817 0.533569


