%chk=000230268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230268

0 1
S -1.990983 0.967269 0.050171
S 2.242124 -0.320225 -0.009106
S -0.726887 2.909355 1.994754
S 5.268754 -0.402465 -0.119728
O 0.374139 -1.971014 0.286838
N -2.043268 3.588681 -0.190394
N 3.818815 1.749660 0.390147
C -1.825372 -1.474738 0.924828
C -0.932902 -2.406664 0.332607
C -3.162557 -1.849920 1.077404
C -3.620936 -3.105295 0.639501
C -1.349261 -0.134462 1.359932
C -1.374831 -3.654992 -0.116538
C -2.721943 -3.995714 0.039717
C 1.347565 -2.774460 -0.453687
C -5.058196 -3.472079 0.820920
C 2.661182 -2.088318 -0.134207
C -1.593976 2.600699 0.600507
C 3.845185 0.439601 0.107307
C -2.808149 3.324401 -1.429572
C -1.794544 5.005291 0.166533
C 5.084205 2.513524 0.495800
C 2.556119 2.487665 0.614429
H -3.864350 -1.154908 1.541793
H -0.238368 -0.066002 1.420363
H -1.736376 0.167428 2.354585
H -0.693363 -4.363456 -0.576689
H -3.067430 -4.968610 -0.308547
H 1.321594 -3.817742 -0.091068
H 1.077621 -2.729645 -1.524629
H -5.303793 -4.450949 0.389831
H -5.722951 -2.736187 0.346842
H -5.324885 -3.514448 1.887036
H 3.427676 -2.267693 -0.919679
H 3.103306 -2.434723 0.822132
H -3.081361 4.262080 -1.940455
H -2.215104 2.718269 -2.142472
H -3.747137 2.779150 -1.209916
H -2.257295 5.689412 -0.559256
H -2.202679 5.231815 1.173254
H -0.707316 5.213719 0.207089
H 4.894209 3.575185 0.709006
H 5.722888 2.099276 1.302208
H 5.666302 2.439211 -0.444800
H 1.936749 2.513650 -0.301248
H 1.949672 2.021605 1.422029
H 2.743409 3.528462 0.922931


%chk=000230268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230268

0 1
S -1.551032 1.610109 1.251900
S 3.047447 0.351403 1.180424
S -4.656424 1.805245 1.831183
S 4.854518 -1.670675 -0.435230
O 0.360401 -1.417653 1.550983
N -3.176931 3.595386 0.416247
N 4.623752 1.000817 -0.915167
C -2.013838 -1.212260 1.300594
C -0.822307 -1.931565 0.986481
C -3.238641 -1.672313 0.767507
C -3.317888 -2.818078 -0.065988
C -1.960763 -0.004191 2.195782
C -0.874372 -3.077915 0.162312
C -2.117948 -3.508477 -0.356049
C 1.620654 -2.112649 1.252717
C -4.653786 -3.284133 -0.619754
C 2.739507 -1.341632 1.939328
C -3.219483 2.420236 1.127482
C 4.258881 -0.088224 -0.164580
C -1.920466 4.117794 -0.167364
C -4.420985 4.384599 0.267751
C 5.605639 0.814857 -2.008094
C 4.096259 2.357406 -0.640700
H -4.147359 -1.106798 1.008508
H -1.153841 -0.067250 2.940212
H -2.933868 0.203907 2.675864
H 0.031555 -3.639027 -0.084509
H -2.147751 -4.398117 -0.996790
H 1.580810 -3.146473 1.658134
H 1.793587 -2.163865 0.160595
H -4.534365 -4.165718 -1.273352
H -5.144618 -2.488909 -1.211725
H -5.353181 -3.560169 0.192088
H 3.689570 -1.898181 1.851308
H 2.500307 -1.139540 2.996000
H -2.149602 5.004483 -0.777402
H -1.199205 4.402652 0.622139
H -1.443566 3.356489 -0.811162
H -4.206153 5.279266 -0.337964
H -5.203656 3.778059 -0.221124
H -4.810062 4.686106 1.256906
H 5.751167 1.776298 -2.525161
H 6.570259 0.455680 -1.606524
H 5.243313 0.054441 -2.722006
H 2.990867 2.355742 -0.647906
H 4.435245 2.727570 0.345233
H 4.453653 3.045966 -1.420622


