%chk=000248523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248523

0 1
S -1.520938 -1.516636 -0.484020
O -0.193540 0.711741 -0.835136
O -1.306447 -2.578419 0.491696
O -1.356373 -1.819226 -1.873840
O 1.371094 2.126462 -1.609122
N -0.238809 -0.399627 0.025353
N 1.355177 -1.872458 1.095889
C 1.115192 -0.765238 0.335694
C 1.991804 0.184731 -0.188563
C -2.944025 -0.643194 -0.167486
C 3.436379 0.255468 -0.035564
C 1.225833 1.144278 -0.945908
C -3.213834 0.547351 -0.859457
C -3.854752 -1.112147 0.791953
C -5.310644 0.776270 0.340820
C -4.390107 1.251100 -0.610301
C -5.031180 -0.412348 1.042775
C 4.238887 0.652327 -1.122837
C 4.044607 -0.072428 1.189428
C -6.561926 1.535790 0.618038
C 5.626031 0.696738 -0.987288
C 5.436168 -0.028749 1.312222
C 6.230558 0.348610 0.226703
H -2.493491 0.935213 -1.592635
H -3.639465 -2.033003 1.347824
H -4.591389 2.175732 -1.151157
H -5.735153 -0.782642 1.786802
H 3.770551 0.933349 -2.066332
H 3.436375 -0.321498 2.054436
H 0.607267 -2.540338 1.308525
H 2.308499 -2.148148 1.289759
H -6.387719 2.303591 1.390224
H -7.377386 0.895612 0.983639
H -6.942678 2.061155 -0.270207
H 6.242001 1.004690 -1.831375
H 5.901784 -0.282898 2.263049
H 7.312649 0.380490 0.325300


%chk=000248523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248523

0 1
S -1.384965 -1.292150 -0.361025
O -0.030366 1.375135 0.096688
O -1.293622 -2.618532 0.616199
O -1.042943 -1.400011 -1.956472
O 1.706540 2.626709 -0.934299
N -0.102729 0.144398 0.819122
N 1.357394 -1.674139 1.321360
C 1.221875 -0.421112 0.791285
C 2.156065 0.445499 0.198360
C -3.075511 -0.518717 -0.157177
C 3.610196 0.277013 0.080953
C 1.424978 1.588821 -0.321545
C -3.569067 0.271905 -1.208679
C -3.775808 -0.755245 1.036878
C -5.602039 0.642847 0.140910
C -4.847652 0.846200 -1.045930
C -5.052696 -0.168204 1.170050
C 4.332281 0.920910 -0.967464
C 4.339436 -0.522547 1.012239
C -6.959431 1.297554 0.312034
C 5.725158 0.746894 -1.090783
C 5.733174 -0.690723 0.883795
C 6.433711 -0.064993 -0.173784
H -2.984646 0.416944 -2.122464
H -3.350183 -1.391339 1.818739
H -5.262371 1.462792 -1.851237
H -5.628246 -0.342613 2.086029
H 3.795124 1.554573 -1.679412
H 3.831450 -0.955179 1.882513
H 0.502377 -2.233754 1.466827
H 2.244108 -2.163507 1.211032
H -6.849953 2.325602 0.708449
H -7.595582 0.738400 1.019178
H -7.497027 1.374208 -0.649015
H 6.260397 1.245617 -1.906240
H 6.275524 -1.298219 1.616861
H 7.516048 -0.199337 -0.275075


