%chk=000250260.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250260

0 1
S -3.052472 0.003682 -1.575724
O -0.614671 0.919839 -1.210370
O 1.648809 -1.364608 -0.595909
O 0.887189 4.309793 -1.376105
O 3.013830 -2.548738 -1.946925
O 2.511016 4.189692 2.894320
O -3.902368 -2.340374 -0.750424
N 1.203864 2.220031 -0.430149
N 1.699716 4.246016 0.781107
C 0.909824 -0.871067 -1.753907
C -0.484198 -0.532266 -1.169974
C 1.511033 0.460760 -2.212521
C 0.601159 1.553489 -1.628763
C -1.639769 -1.058327 -1.999722
C 1.597818 1.474194 0.696772
C 1.226307 3.654358 -0.408788
C 2.054679 2.064502 1.830581
C 2.718307 -2.227775 -0.821266
C 2.132207 3.526584 1.953489
C 3.343497 -2.606427 0.462985
C 2.489537 1.272735 3.016383
C -4.184993 -1.175209 -0.815507
C -5.421771 -0.508279 -0.365221
C 4.590945 -3.252159 0.423232
C 2.720542 -2.341292 1.692503
C 5.214539 -3.622183 1.616389
C 3.351003 -2.715400 2.880801
C -6.641252 -1.188824 -0.529369
C -5.398797 0.766910 0.218158
C 4.596332 -3.353423 2.842792
C -7.833159 -0.585202 -0.126231
C -6.597388 1.362074 0.623967
C -7.811438 0.690930 0.448940
H 0.915194 -1.655641 -2.538366
H -0.560990 -0.815620 -0.094607
H 1.540637 0.528624 -3.317430
H 2.566964 0.561403 -1.891764
H 0.281734 2.347717 -2.353595
H -1.464139 -0.980295 -3.089546
H -1.863134 -2.126959 -1.780127
H 1.527728 0.378237 0.595901
H 1.728150 5.276322 0.807848
H 3.132814 1.872861 3.683628
H 3.060808 0.378426 2.734904
H 1.625672 0.953669 3.617953
H 5.062845 -3.461827 -0.540866
H 1.745255 -1.849480 1.712632
H 6.182891 -4.122071 1.591004
H 2.871184 -2.513932 3.838365
H -6.648563 -2.188032 -0.969751
H -4.456044 1.298769 0.369782
H 5.086320 -3.644038 3.773364
H -8.779471 -1.108651 -0.256957
H -6.582425 2.353104 1.076850
H -8.743508 1.161180 0.763133


%chk=000250260-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250260

0 1
S -3.393198 0.744511 -1.817537
O -0.423676 1.336899 -0.650019
O 1.255977 -1.185817 -0.394224
O 1.559629 4.567788 -1.500418
O 2.754901 -2.312024 -1.783305
O 3.919870 4.399288 2.528869
O -3.489649 -1.911158 -1.155360
N 1.632028 2.515058 -0.328840
N 2.720821 4.422514 0.526892
C 0.638567 -0.583751 -1.612154
C -0.724666 -0.018718 -1.166134
C 1.422485 0.660575 -2.084358
C 0.775567 1.867300 -1.341075
C -1.734317 0.017043 -2.327113
C 2.065863 1.798078 0.792321
C 1.938513 3.889363 -0.505369
C 2.838202 2.344135 1.789360
C 2.322673 -2.078849 -0.628292
C 3.218080 3.762201 1.690423
C 2.839276 -2.675860 0.632873
C 3.308927 1.568354 2.994570
C -4.133138 -0.831260 -1.122583
C -5.503069 -0.696023 -0.550619
C 3.986390 -3.508527 0.550265
C 2.220565 -2.442753 1.889770
C 4.513900 -4.098306 1.716342
C 2.751408 -3.038102 3.053108
C -6.143157 -1.880575 -0.091351
C -6.176955 0.549991 -0.446107
C 3.897996 -3.863852 2.969319
C -7.438268 -1.817706 0.459267
C -7.472900 0.607997 0.106346
C -8.106461 -0.573687 0.559229
H 0.576630 -1.367236 -2.385425
H -1.139476 -0.594152 -0.323412
H 1.301730 0.782218 -3.174504
H 2.500444 0.567298 -1.883184
H 0.484543 2.676937 -2.030538
H -1.388272 0.641508 -3.167538
H -1.941813 -1.011028 -2.671416
H 1.731172 0.758051 0.823523
H 2.963821 5.413447 0.427696
H 4.408752 1.621675 3.086328
H 3.010161 0.507958 2.932944
H 2.898000 2.001447 3.924922
H 4.443246 -3.678432 -0.430250
H 1.327112 -1.813789 1.942320
H 5.399861 -4.738628 1.651869
H 2.272108 -2.863385 4.022191
H -5.608056 -2.831910 -0.176575
H -5.691944 1.471764 -0.785810
H 4.307956 -4.323900 3.875214
H -7.927443 -2.732593 0.810218
H -7.987659 1.571104 0.186676
H -9.113259 -0.524682 0.988550


