%chk=000257572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257572

0 1
S 3.900778 0.169717 -0.017881
O -3.597675 0.658368 0.257653
O -1.521207 2.355018 -0.012191
O -3.203954 -1.985341 -0.051674
N 1.304387 1.044672 -0.037336
N -0.920538 -1.771524 -0.068191
N 1.520072 -1.242536 -0.044683
N -2.345394 0.188210 -0.143027
C 0.003158 0.504752 -0.052874
C 0.175347 -0.910366 -0.057059
C 2.175091 -0.027985 -0.032970
C -1.277000 1.173479 -0.037843
C 1.623080 2.472311 -0.025822
C -2.248804 -1.245919 -0.053411
C 4.501583 -1.525752 0.018750
H -0.784182 -2.786892 -0.057277
H 2.219702 2.739424 0.867386
H 2.192398 2.759826 -0.930350
H 0.689540 3.080137 -0.004452
H 4.156517 -2.102627 -0.852530
H 4.161450 -2.062573 0.916736
H 5.599333 -1.498731 0.014787
H -4.122881 0.778532 -0.611441


%chk=000257572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257572

0 1
S 3.960206 0.206034 0.016421
O -3.650511 0.740081 -0.115782
O -1.502506 2.484676 -0.065583
O -3.271298 -1.872782 -0.128731
N 1.319822 1.095487 -0.020864
N -0.914577 -1.677923 -0.081136
N 1.514301 -1.190439 -0.033833
N -2.306846 0.244039 -0.093520
C 0.012466 0.571414 -0.047225
C 0.181882 -0.823485 -0.055060
C 2.176127 0.002107 -0.016551
C -1.269022 1.245678 -0.068277
C 1.696565 2.519772 0.005277
C -2.210706 -1.169525 -0.102939
C 4.448402 -1.613961 -0.003191
H -0.799955 -2.692766 -0.086389
H 2.236471 2.756272 0.938802
H 2.341932 2.757680 -0.858093
H 0.774425 3.118456 -0.045923
H 4.069199 -2.083479 -0.920687
H 4.029360 -2.112727 0.880904
H 5.548500 -1.618014 0.021067
H -4.183438 -0.122396 -0.134390


