%chk=000217975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217975

0 1
S 2.372107 0.904846 -0.621211
O 1.775511 -2.872602 -0.132763
O 5.553579 0.120170 2.094547
O -4.237396 -1.178029 0.778247
O 5.741434 0.082719 -0.138878
N -0.371733 1.230298 -0.868898
N 0.519778 -0.956496 -0.459274
C -0.337316 2.689246 -1.095791
C -1.744193 3.103199 -1.587030
C 0.060980 3.468635 0.177522
C -2.801810 3.048047 -0.478401
C -1.010072 3.385204 1.271597
C -2.373845 3.858589 0.751269
C 0.612897 0.459159 -0.663939
C 2.974691 -0.785965 -0.344098
C 1.739766 -1.676863 -0.295856
C 3.751011 -0.861160 0.957758
C -0.772734 -1.631436 -0.428914
C -1.842745 -1.027065 0.248686
C -0.919130 -2.867249 -1.071904
C 5.085254 -0.184061 0.837464
C -3.083549 -1.671152 0.215109
C -2.169311 -3.501911 -1.049467
C -3.263176 -2.917813 -0.420517
C -4.181906 0.138227 1.382063
H 0.404508 2.925586 -1.909184
H -2.052488 2.445054 -2.424309
H -1.683117 4.128278 -1.999787
H 0.226718 4.528408 -0.101016
H 1.029229 3.107078 0.571843
H -2.977301 1.985304 -0.186651
H -3.767002 3.423590 -0.865987
H -0.703213 3.993918 2.142670
H -1.089120 2.341901 1.635093
H -2.325754 4.934405 0.494750
H -3.134559 3.770427 1.548491
H 3.623698 -1.089835 -1.212057
H 3.177803 -0.430276 1.814623
H 3.914237 -1.932266 1.248443
H -1.713068 -0.074876 0.756294
H -0.075540 -3.345575 -1.567320
H -2.282594 -4.468860 -1.542768
H -4.241405 -3.390841 -0.409904
H 6.447904 0.558500 2.076719
H -3.776457 0.879472 0.671325
H -3.591947 0.097921 2.301821
H -5.239725 0.333152 1.596489


%chk=000217975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217975

0 1
S 2.414934 1.040913 -0.604985
O 1.770365 -2.846938 0.015249
O 5.885297 -0.249980 1.991681
O -4.179618 -1.374191 1.172563
O 5.756392 -0.025809 -0.317699
N -0.406259 1.293326 -0.762650
N 0.505385 -0.889957 -0.394566
C -0.255044 2.750917 -0.997985
C -1.478600 3.253486 -1.803354
C -0.137978 3.512531 0.355077
C -2.782512 3.179860 -0.975440
C -1.444878 3.454002 1.179944
C -2.651571 3.961330 0.354520
C 0.605182 0.523964 -0.597278
C 2.961815 -0.744242 -0.310228
C 1.700077 -1.611472 -0.212555
C 3.823545 -0.904605 0.952404
C -0.781063 -1.568262 -0.401538
C -1.822206 -1.093382 0.428128
C -0.956940 -2.697412 -1.227584
C 5.220749 -0.346722 0.765309
C -3.067314 -1.762995 0.410443
C -2.205573 -3.361286 -1.217293
C -3.262163 -2.902559 -0.409883
C -4.042104 -0.185124 2.016740
H 0.671877 2.942697 -1.586425
H -1.575451 2.656800 -2.729156
H -1.284518 4.303415 -2.104033
H 0.099786 4.570411 0.122013
H 0.712810 3.109845 0.937357
H -3.000800 2.115399 -0.759612
H -3.628510 3.572609 -1.571372
H -1.328919 4.052366 2.104229
H -1.632128 2.406736 1.493218
H -2.513992 5.040801 0.134403
H -3.584556 3.872851 0.944991
H 3.542703 -1.055485 -1.195582
H 3.352726 -0.432197 1.831547
H 3.912333 -1.987076 1.177079
H -1.656390 -0.209322 1.045562
H -0.136670 -3.060301 -1.851162
H -2.353131 -4.242052 -1.850695
H -4.236496 -3.399641 -0.397761
H 6.809605 0.089276 1.842521
H -3.799895 0.711375 1.412321
H -3.266741 -0.329673 2.794431
H -5.024663 -0.057228 2.494003


