%chk=000281718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281718

0 1
S -2.643356 -0.479013 -0.866701
O -1.899331 0.451369 0.365803
O 1.074293 -1.776883 -1.378556
O 2.139359 -4.058287 -0.363317
O -2.390353 0.198566 -2.110773
O -2.219989 -1.839275 -0.675170
N 4.165381 2.618718 -0.446302
C 1.757996 0.858778 -0.488328
C 1.915898 2.024219 0.540193
C 3.423013 2.241425 0.803697
C 2.431598 1.306038 -1.808383
C 2.454810 -0.401950 0.012801
C 4.062612 0.981575 1.422270
C 3.907954 1.673653 -1.575597
C 3.529213 -0.331395 0.919333
C 0.280000 0.584406 -0.682056
C 1.088827 1.802655 1.776939
C 2.062778 -1.676704 -0.438591
C -0.547103 0.714115 0.368734
C 3.881214 4.031500 -0.839863
C -0.111090 1.208512 1.684690
C 4.148956 -1.502450 1.396394
C 2.689742 -2.845342 0.053088
C 3.729456 -2.764623 0.976152
C 2.967436 -4.774108 -1.317097
C -4.260033 -0.254342 -0.349014
C -5.009856 0.824321 -0.835873
C -4.834786 -1.147423 0.564738
C -6.325904 1.009471 -0.415902
C -6.150380 -0.966928 0.988339
C -6.906416 0.114414 0.500950
C -8.308542 0.319448 0.964951
H 1.505782 2.954714 0.058371
H 3.554390 3.084352 1.531551
H 1.877539 2.157103 -2.242745
H 2.360315 0.490267 -2.553920
H 3.928597 1.021310 2.523910
H 5.162866 1.021087 1.251252
H 4.491085 0.750808 -1.348685
H 4.344528 2.094155 -2.504977
H -0.018422 0.225941 -1.665701
H 1.489132 2.175743 2.714854
H 4.147199 4.702618 -0.008498
H 2.839003 4.230295 -1.130491
H 4.530920 4.299085 -1.689008
H -0.788113 1.054482 2.519833
H 4.968169 -1.425263 2.107679
H 4.194811 -3.670930 1.356638
H 0.738554 -2.726091 -1.431206
H 3.922639 -5.043310 -0.859617
H 3.114355 -4.171327 -2.217024
H 2.363643 -5.664789 -1.524808
H -4.564148 1.522398 -1.554630
H -4.251750 -1.995420 0.944143
H -6.903549 1.849473 -0.797860
H -6.591323 -1.664259 1.698697
H -8.330329 0.953804 1.865894
H -8.935554 0.815060 0.210260
H -8.809336 -0.623567 1.226438


%chk=000281718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281718

0 1
S -2.477561 -2.196407 0.056783
O -1.357552 1.297931 0.980117
O 0.395140 -0.115889 -0.899149
O 0.594641 -2.944257 -0.474853
O -2.075131 -1.315619 -1.529108
O -2.604442 -3.813861 -0.239870
N 4.858683 2.643385 -0.713179
C 2.124440 1.542440 -0.478124
C 2.689442 2.542278 0.563180
C 4.258476 2.311579 0.610257
C 2.709874 1.902300 -1.879133
C 2.554662 0.140196 -0.064474
C 4.661761 0.877274 1.078075
C 4.264028 1.859237 -1.832408
C 3.735414 -0.230852 0.592382
C 0.580285 1.347805 -0.506095
C 1.974565 2.463039 1.883658
C 1.550782 -0.768858 -0.385030
C -0.118405 1.539688 0.867625
C 4.956959 4.092892 -0.977712
C 0.688611 2.009248 2.011787
C 3.899680 -1.617440 0.844823
C 1.684298 -2.148782 -0.137187
C 2.905413 -2.559825 0.470305
C 0.619265 -4.375236 -0.131863
C -4.264947 -1.612225 0.037638
C -4.539844 -0.246794 0.245770
C -5.274418 -2.564073 -0.169037
C -5.889678 0.167232 0.243712
C -6.618060 -2.127850 -0.172368
C -6.944877 -0.762442 0.036269
C -8.392542 -0.302808 0.055345
H 2.555916 3.581336 0.185890
H 4.688825 3.027454 1.338182
H 2.355496 2.911317 -2.172239
H 2.341254 1.186015 -2.637656
H 4.671943 0.863516 2.187214
H 5.706292 0.712810 0.753088
H 4.588889 0.808155 -1.730678
H 4.686258 2.238291 -2.780124
H 0.050813 1.923886 -1.283100
H 2.502980 2.844739 2.770467
H 5.514375 4.579219 -0.156738
H 3.979450 4.626640 -1.086184
H 5.524611 4.251510 -1.911611
H 0.172510 2.018089 2.979132
H 4.800811 -1.977590 1.355080
H 3.067132 -3.620748 0.685755
H -1.122299 -1.000941 -1.409881
H 0.845934 -4.518697 0.942320
H 1.362530 -4.910312 -0.752890
H -0.406676 -4.711208 -0.345606
H -3.725139 0.471683 0.389662
H -4.992062 -3.610434 -0.335900
H -6.126844 1.227029 0.397709
H -7.421682 -2.854417 -0.342423
H -8.753405 -0.168119 1.093649
H -8.515785 0.666477 -0.460481
H -9.056688 -1.036810 -0.432874


