%chk=000190097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190097

0 1
S 0.459853 -1.307770 0.358035
O -0.351488 1.655179 2.914614
O 0.520642 -2.039813 1.605854
O 0.982576 -1.929148 -0.848531
O -5.678115 -0.188662 -1.914637
O -5.936705 1.004612 -0.012863
N 1.262802 0.189612 0.629658
C 1.080596 1.722318 2.600089
C 1.708447 0.466056 2.017167
C 0.088675 2.585310 1.873592
C 2.061303 0.884771 -0.424808
C 3.501676 0.389234 -0.490202
C 1.377415 0.791845 -1.789657
C -1.179072 -0.818970 0.041866
C 4.530595 1.250655 -0.078562
C 3.821026 -0.893461 -0.952523
C -1.911185 -0.139621 1.016032
C -1.758351 -1.139114 -1.190677
C 5.862620 0.831258 -0.128643
C 5.154008 -1.311446 -0.999937
C -3.236725 0.229976 0.757732
C -3.080458 -0.775485 -1.455262
C -3.815551 -0.089699 -0.477170
C 6.176904 -0.451653 -0.588527
C -5.227770 0.323181 -0.716156
C -7.050343 0.128290 -2.275546
H 1.663298 2.162812 3.420009
H 1.447261 -0.395433 2.693401
H 2.820772 0.558186 2.069988
H -0.249864 2.324527 0.871871
H -0.027940 3.634302 2.135043
H 2.071989 1.973684 -0.122521
H 1.912610 1.407561 -2.524423
H 0.340746 1.142856 -1.757285
H 1.376154 -0.235009 -2.195155
H 4.298006 2.252579 0.276794
H 3.024813 -1.577009 -1.277378
H -1.456872 0.122793 1.987322
H -1.177916 -1.679284 -1.949269
H 6.656174 1.504303 0.190192
H 5.392925 -2.311982 -1.358346
H -3.820009 0.764921 1.513838
H -3.546964 -1.024019 -2.412273
H 7.213969 -0.779173 -0.626227
H -7.730818 -0.285313 -1.524180
H -7.170131 1.213759 -2.350609
H -7.159479 -0.367117 -3.246030


%chk=000190097-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190097

0 1
S 0.405189 -1.347226 0.425664
O -0.208307 1.588877 3.107326
O 0.384196 -2.050154 1.898377
O 0.952160 -2.211699 -0.855197
O -5.848459 -0.286128 -2.097910
O -6.083202 1.008896 -0.175357
N 1.249457 0.381459 0.702420
C 1.286938 1.577973 2.883504
C 1.860024 0.436207 2.048816
C 0.462677 2.689075 2.312135
C 2.085594 0.933881 -0.425947
C 3.538077 0.438537 -0.505558
C 1.342841 0.856329 -1.777409
C -1.350730 -0.802958 -0.009648
C 4.592409 1.356274 -0.263014
C 3.861174 -0.905803 -0.828885
C -2.042299 0.014078 0.901494
C -1.896293 -1.300606 -1.203622
C 5.944264 0.950123 -0.346628
C 5.211225 -1.312681 -0.907699
C -3.371915 0.354338 0.575419
C -3.228747 -0.951569 -1.509531
C -3.965655 -0.125522 -0.622146
C 6.257028 -0.389500 -0.669130
C -5.379394 0.269269 -0.905172
C -7.248840 0.049407 -2.448864
H 1.851733 1.773211 3.806999
H 1.652218 -0.516934 2.579917
H 2.961691 0.545505 1.986629
H 0.223179 2.662621 1.242422
H 0.460108 3.672827 2.796447
H 2.133347 2.010731 -0.148774
H 1.878835 1.472302 -2.519764
H 0.313946 1.246204 -1.676506
H 1.299174 -0.175649 -2.161629
H 4.355339 2.399570 -0.014286
H 3.058212 -1.630132 -1.011357
H -1.558230 0.385332 1.813768
H -1.296004 -1.939371 -1.858904
H 6.745908 1.673231 -0.158444
H 5.447257 -2.353719 -1.155553
H -3.964738 0.990621 1.240007
H -3.703514 -1.314537 -2.424427
H 7.302512 -0.711675 -0.732346
H -7.933147 -0.299277 -1.657471
H -7.360662 1.140028 -2.568888
H -7.434475 -0.476370 -3.395581


