%chk=000183980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183980

0 1
S -4.382978 -0.115389 0.009161
O -2.816210 0.500947 0.002373
O 7.030743 0.362560 -0.084875
O -4.566612 -0.809766 -1.229505
O -4.578910 -0.752154 1.276559
N -5.192822 1.367215 -0.028094
C 2.062433 0.409713 0.020333
C 0.795169 -0.455799 0.016070
C 3.329651 -0.455968 0.022711
C -0.466839 0.412935 0.009509
C 4.594561 0.408607 0.029542
C -1.727452 -0.451428 0.011590
C 5.857500 -0.456881 0.025252
H 2.059824 1.077758 0.903581
H 2.065365 1.078463 -0.862777
H 0.792720 -1.122277 0.901084
H 0.800166 -1.124146 -0.867666
H 3.325475 -1.127287 0.903736
H 3.332255 -1.119815 -0.864495
H -0.483502 1.090584 0.886888
H -0.480119 1.081501 -0.874982
H 4.610349 1.078842 -0.854096
H 4.595824 1.080373 0.908758
H -1.810733 -1.070190 0.924699
H -1.806414 -1.081706 -0.894124
H 5.940634 -1.083955 0.929940
H 5.927878 -1.095597 -0.875984
H 7.093378 0.978920 0.669034
H -5.199430 1.962811 0.795331
H -5.187205 1.927530 -0.875955


%chk=000183980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183980

0 1
S -4.534721 -0.144305 0.022315
O -2.843728 0.639630 -0.001162
O 7.209064 0.281035 -0.033432
O -4.755850 -0.941366 -1.361090
O -4.767679 -0.834913 1.459837
N -5.491870 1.320092 -0.035283
C 2.125857 0.434264 0.010338
C 0.820942 -0.393959 0.012395
C 3.396734 -0.445152 0.011737
C -0.444045 0.499533 0.005078
C 4.702893 0.382386 0.012864
C -1.726235 -0.343919 0.016292
C 5.962848 -0.501787 0.013274
H 2.139197 1.100713 0.897466
H 2.139745 1.097202 -0.879066
H 0.806257 -1.052672 0.904901
H 0.809411 -1.062092 -0.872986
H 3.378920 -1.112949 0.898417
H 3.384423 -1.108532 -0.877693
H -0.441419 1.165280 0.888814
H -0.443930 1.146006 -0.892839
H 4.734739 1.042803 -0.875607
H 4.716921 1.044950 0.904783
H -1.789930 -0.961789 0.932724
H -1.787951 -0.990621 -0.880025
H 5.955757 -1.180061 0.894743
H 6.001856 -1.121672 -0.898678
H 7.245233 0.870271 0.761784
H -5.500092 1.864691 0.830356
H -5.488649 1.803333 -0.936659


