%chk=000227816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227816

0 1
S 0.012230 -1.191010 -0.627530
O 2.411743 -1.656387 1.288548
N -1.965922 0.678327 -1.973305
C 1.248643 0.026503 -0.032386
C 2.549195 -0.771599 0.161336
C 1.416834 1.143364 -1.055603
C 3.711217 0.152998 0.557955
C 2.576530 2.068551 -0.652153
C 3.881316 1.282140 -0.462409
C -1.495096 -0.626336 0.053407
C -2.355788 0.184087 -0.718397
C -1.860323 -1.029269 1.340632
C -3.607142 0.569342 -0.171194
C -3.088316 -0.639558 1.873301
C -3.954473 0.159738 1.110229
H 0.912847 0.437137 0.949027
H 2.804955 -1.380656 -0.734022
H 0.479794 1.731105 -1.139681
H 1.606952 0.727768 -2.064875
H 4.639432 -0.442124 0.650590
H 3.523000 0.559912 1.571905
H 2.321350 2.602760 0.283760
H 2.714904 2.850871 -1.421422
H 4.214384 0.866283 -1.433173
H 4.687459 1.964389 -0.131670
H 1.696687 -2.308801 1.135073
H -1.183423 -1.651821 1.930023
H -4.283544 1.193192 -0.748061
H -3.376099 -0.951664 2.873251
H -4.914833 0.461821 1.530725
H -2.699846 0.986032 -2.593557
H -1.212170 0.200807 -2.454822


%chk=000227816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227816

0 1
S -0.029108 -1.174094 -0.965008
O 2.215027 -1.781147 1.169098
N -2.397801 0.405362 -2.129015
C 1.287428 0.052327 -0.242772
C 2.532536 -0.769189 0.157253
C 1.632472 1.176032 -1.236357
C 3.609253 0.154060 0.756768
C 2.727492 2.100678 -0.641390
C 3.979205 1.292073 -0.223729
C -1.548174 -0.626144 -0.066240
C -2.558133 0.092989 -0.783952
C -1.718923 -0.932445 1.301092
C -3.733994 0.484407 -0.073677
C -2.882735 -0.530207 1.993795
C -3.888111 0.177913 1.291147
H 0.807524 0.453954 0.668116
H 2.939159 -1.255762 -0.760329
H 0.720967 1.754307 -1.476070
H 1.996848 0.730869 -2.184219
H 4.493893 -0.456244 1.014950
H 3.215869 0.574785 1.703005
H 2.318625 2.626129 0.245552
H 2.998249 2.878181 -1.381008
H 4.457277 0.863118 -1.128556
H 4.726966 1.960039 0.244234
H 1.448020 -2.310521 0.815525
H -0.931083 -1.488043 1.822496
H -4.519822 1.034028 -0.606452
H -3.004307 -0.770432 3.054472
H -4.800751 0.491889 1.810923
H -3.124794 0.895008 -2.641191
H -1.556577 0.093981 -2.612960


