%chk=000270779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270779

0 1
S -0.892303 1.700581 -0.836342
O 2.293490 3.469525 0.668744
O 0.302593 3.209177 -0.175399
O 3.874307 -2.718373 0.698317
O 4.841424 -0.875512 1.297559
N -2.080701 0.694849 -1.531838
N 1.410388 2.765560 0.233063
N 3.906183 -1.508431 0.839375
C 0.431836 0.642760 -0.398218
C 1.545575 1.326729 0.139356
C 2.712846 -0.744676 0.419461
C 2.701375 0.640964 0.553856
C 0.468657 -0.757434 -0.516962
C 1.597482 -1.447836 -0.112495
C -3.002713 -0.065613 -0.779597
C -3.896873 -0.913438 -1.474605
C -3.049117 0.006218 0.626868
C -4.821634 -1.670599 -0.757966
C -3.984339 -0.763657 1.320180
C -4.869083 -1.604817 0.638862
H 3.563070 1.186218 0.969185
H -0.395958 -1.296867 -0.917002
H 1.653852 -2.542483 -0.192155
H -2.088212 0.573691 -2.543096
H -3.875691 -0.970113 -2.558795
H -2.384073 0.664526 1.179876
H -5.513973 -2.320754 -1.293396
H -4.023720 -0.704785 2.408396
H -5.591886 -2.200211 1.189769


%chk=000270779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270779

0 1
S -1.024135 1.746252 -0.906099
O 2.734745 3.453835 0.759942
O 0.598515 3.543907 -0.046227
O 3.891509 -2.755422 0.657112
O 4.960987 -0.831237 1.266470
N -2.018643 0.402184 -1.523234
N 1.673240 2.893000 0.300392
N 3.944854 -1.473143 0.798701
C 0.474595 0.794195 -0.385170
C 1.634624 1.431449 0.143410
C 2.753252 -0.688799 0.393853
C 2.779636 0.705545 0.531759
C 0.495373 -0.618821 -0.503598
C 1.618649 -1.363789 -0.119364
C -3.044558 -0.240248 -0.779764
C -3.993247 -1.036086 -1.480920
C -3.127858 -0.136128 0.633448
C -4.998196 -1.725206 -0.771293
C -4.144803 -0.825937 1.328333
C -5.083471 -1.625985 0.637372
H 3.655855 1.225380 0.928419
H -0.391428 -1.114762 -0.907784
H 1.636465 -2.453475 -0.204046
H -2.048142 0.324036 -2.541840
H -3.942245 -1.113261 -2.574441
H -2.412434 0.487038 1.180317
H -5.720993 -2.336025 -1.323731
H -4.201175 -0.734940 2.418840
H -5.868169 -2.158358 1.184143


