%chk=000243428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243428

0 1
S 1.694871 0.803000 -1.316168
O 1.716553 -0.391192 -2.141743
O 1.725859 2.090922 -1.975818
O 0.875082 2.501120 0.991384
N 0.032088 -0.709958 -0.075282
N -0.951507 -1.372941 -0.452230
C 0.096517 0.727829 -0.381785
C -0.978235 1.359428 -1.282730
C 0.181793 1.511476 0.940945
C 2.937653 0.694036 -0.129131
C -2.262187 1.704640 -0.575202
C -0.605223 1.002023 2.100086
C 3.403846 -0.563937 0.271800
C 3.507916 1.857349 0.400089
C -3.309500 0.775404 -0.499046
C -2.424342 2.978929 -0.006472
C 4.434931 -0.659033 1.209103
C 4.542014 1.762473 1.336896
C -4.502625 1.114978 0.145082
C -3.618639 3.313373 0.635420
C 5.003683 0.505599 1.739670
C -4.659757 2.382175 0.714286
C -0.910706 -2.804029 -0.231263
C 0.073869 -3.598092 -0.842996
C -1.961534 -3.382350 0.500353
C -0.004734 -4.987052 -0.721037
C -2.016152 -4.772703 0.618156
C -1.043217 -5.574112 0.009796
H -0.563433 2.284733 -1.760658
H -1.194594 0.670859 -2.133343
H -0.594610 1.717127 2.936974
H -0.201975 0.048512 2.475634
H -1.660966 0.820718 1.834969
H 2.963302 -1.473502 -0.152197
H 3.134550 2.843010 0.089735
H -3.192737 -0.213845 -0.945254
H -1.617523 3.710299 -0.067172
H 4.798218 -1.636014 1.522855
H 4.983587 2.667938 1.750747
H -5.313720 0.390566 0.197746
H -3.739840 4.303826 1.071658
H 5.810855 0.431018 2.469762
H -5.590562 2.645899 1.211855
H 0.876721 -3.128919 -1.417962
H -2.721082 -2.754921 0.963374
H 0.748481 -5.613838 -1.198203
H -2.823948 -5.234737 1.184816
H -1.096644 -6.657582 0.103300


%chk=000243428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243428

0 1
S 1.653224 0.431368 -1.288504
O 1.654493 -1.128446 -1.813798
O 1.582145 1.677099 -2.359552
O 0.387998 2.679659 1.095731
N -0.480223 -0.747791 0.372950
N -1.010513 -1.451019 -0.617389
C -0.340693 0.620621 0.093240
C -1.193149 1.357565 -0.931232
C 0.260724 1.426401 1.227194
C 3.230222 0.666824 -0.267102
C -2.559435 1.731537 -0.344151
C 0.703339 0.701858 2.483891
C 3.874109 -0.482036 0.222190
C 3.685957 1.978910 -0.054912
C -3.648006 0.826225 -0.438665
C -2.758723 2.984205 0.290950
C 5.056466 -0.295083 0.975813
C 4.868489 2.141358 0.704151
C -4.913458 1.167956 0.089008
C -4.024647 3.325447 0.818414
C 5.546599 1.010554 1.218134
C -5.105654 2.418694 0.720993
C -1.165281 -2.836261 -0.345520
C -0.868386 -3.467095 0.900265
C -1.667769 -3.604949 -1.433018
C -1.081877 -4.848400 1.042783
C -1.873790 -4.989959 -1.281167
C -1.583292 -5.614013 -0.043831
H -0.643561 2.262997 -1.240888
H -1.326106 0.700677 -1.807299
H 1.181629 1.421658 3.165693
H 1.401645 -0.118688 2.240800
H -0.167107 0.233212 2.978198
H 3.479226 -1.477885 -0.003963
H 3.147967 2.833413 -0.476476
H -3.499889 -0.140945 -0.933539
H -1.918605 3.682824 0.372075
H 5.593465 -1.166517 1.364885
H 5.254857 3.148672 0.890331
H -5.748197 0.462752 0.003541
H -4.167350 4.298701 1.301701
H 6.462764 1.146351 1.803035
H -6.087472 2.684981 1.128714
H -0.479455 -2.857417 1.721067
H -1.871498 -3.090921 -2.377618
H -0.860115 -5.340751 1.996047
H -2.254824 -5.582671 -2.119105
H -1.743847 -6.691167 0.076734


