%chk=000260266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260266

0 1
S -1.421610 2.534816 -1.892526
O -4.318622 -2.131572 -0.930320
O -5.440601 -1.336614 1.583401
N 2.752859 0.587092 0.349604
N 0.081609 1.620063 0.082858
C 1.579090 -0.238350 0.781036
C 2.391760 1.452933 -0.823069
C 0.441140 0.711695 1.209556
C 1.249562 2.402394 -0.414984
C 3.945153 -0.206710 0.074248
C -1.119393 1.614298 -0.536648
C 5.187277 0.315297 0.507952
C 3.891636 -1.453304 -0.570974
C -2.234511 0.803630 0.004557
C 6.349116 -0.440415 0.286024
C 5.290303 1.644685 1.179724
C 5.058983 -2.190639 -0.776303
C 6.288533 -1.683366 -0.347470
C -2.709125 -0.283548 -0.749626
C -2.846382 1.150935 1.214568
C -3.788945 -1.029016 -0.279927
C -3.923553 0.403422 1.694254
C -4.402607 -0.691551 0.959879
C -3.996290 -2.280041 -2.336426
C -6.113564 -2.404674 0.868113
H 1.892803 -0.857374 1.651061
H 1.214324 -0.935731 -0.004244
H 2.101109 0.865172 -1.721262
H 3.286932 2.051362 -1.103070
H -0.436561 0.119391 1.548653
H 0.770037 1.337049 2.072963
H 1.580744 3.082861 0.403332
H 0.966869 3.049725 -1.281222
H 2.939417 -1.850270 -0.918016
H 7.312008 -0.051575 0.615206
H 5.415680 2.448777 0.441123
H 4.379668 1.879897 1.755327
H 6.136953 1.698123 1.875087
H 5.010078 -3.157644 -1.273122
H 7.200459 -2.255942 -0.507500
H -2.238535 -0.518917 -1.704102
H -2.497998 2.015839 1.779020
H -4.414634 0.662931 2.632219
H -2.941268 -2.542816 -2.452989
H -4.252144 -1.371010 -2.890052
H -4.645003 -3.115673 -2.626522
H -5.412160 -3.223902 0.672937
H -6.540819 -2.022859 -0.064136
H -6.890978 -2.696373 1.583208


%chk=000260266-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260266

0 1
S -1.243495 2.017266 -2.097505
O -4.919251 -1.916696 -1.161544
O -5.544905 -1.596364 1.629185
N 2.893969 0.356272 0.269594
N 0.137973 1.231165 0.133492
C 1.792984 -0.572680 0.590860
C 2.465030 1.361484 -0.740282
C 0.565509 0.206218 1.122059
C 1.246464 2.148464 -0.222827
C 4.218987 -0.184938 0.147421
C -1.033030 1.178492 -0.598490
C 5.358028 0.661313 0.357532
C 4.421451 -1.566514 -0.128701
C -2.177352 0.409512 -0.019786
C 6.649998 0.093479 0.241120
C 5.210250 2.116832 0.764349
C 5.719886 -2.109827 -0.222463
C 6.845550 -1.275423 -0.050472
C -2.991811 -0.380647 -0.870736
C -2.527784 0.517953 1.352958
C -4.117212 -1.070271 -0.375601
C -3.672481 -0.137811 1.844461
C -4.480243 -0.937053 1.004715
C -4.565003 -2.057476 -2.578077
C -6.853199 -1.680586 0.945389
H 2.129189 -1.274481 1.374548
H 1.470740 -1.171259 -0.295971
H 2.195798 0.866295 -1.701476
H 3.289923 2.060573 -0.945294
H -0.258592 -0.495308 1.313156
H 0.837541 0.709960 2.069815
H 1.531542 2.707264 0.690069
H 0.880447 2.843727 -0.995686
H 3.558169 -2.220473 -0.290066
H 7.520981 0.738934 0.411082
H 5.152066 2.798885 -0.107301
H 4.290632 2.260575 1.359988
H 6.076686 2.440404 1.366963
H 5.848683 -3.176310 -0.439656
H 7.858929 -1.684335 -0.125251
H -2.722532 -0.426252 -1.929636
H -1.942340 1.159987 2.019475
H -3.978190 -0.039576 2.890438
H -3.548566 -2.479747 -2.694665
H -4.626866 -1.086896 -3.105925
H -5.307927 -2.756032 -2.990271
H -6.794648 -2.322704 0.053513
H -7.203652 -0.671266 0.657616
H -7.529527 -2.111624 1.699281


