%chk=000273671.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273671

0 1
S -1.941827 0.695574 -1.665365
O -2.442887 -0.320630 -2.561085
O -1.730069 2.047344 -2.127454
N -0.424913 0.114020 -1.075173
C 1.843227 0.036082 -0.213754
C 2.452691 0.400494 1.161017
C 2.864737 0.278486 -1.352345
C 0.596849 0.914710 -0.440921
C 3.767685 -0.368650 1.394644
C 2.698392 1.924602 1.235178
C 1.255282 -1.358469 -0.355464
C 4.176410 -0.476859 -1.111672
C 4.781358 -0.157030 0.261717
C 1.471052 2.793554 0.911127
C -0.034451 -1.259779 -0.970014
C 0.455228 2.166859 0.005719
C 1.776570 -2.602144 -0.063136
C -0.753723 -2.387441 -1.344288
C 1.037600 -3.753596 -0.404919
C -0.192094 -3.643054 -1.048638
C -2.922580 0.738498 -0.241249
C -3.402817 -0.449102 0.319586
C -3.244950 1.969152 0.340388
C -4.199780 -0.407544 1.467560
C -4.042037 2.013085 1.487798
C -4.517434 0.823770 2.051312
H 1.722827 0.114321 1.955612
H 3.059375 1.365416 -1.438905
H 2.423870 -0.027485 -2.320917
H 3.540963 -1.451157 1.490007
H 4.213752 -0.065703 2.359677
H 3.519520 2.190337 0.538079
H 3.069779 2.181143 2.244805
H 4.900599 -0.222528 -1.908955
H 4.000334 -1.566787 -1.201785
H 5.673459 -0.787352 0.435198
H 5.141719 0.890418 0.274260
H 1.814135 3.753997 0.471743
H 0.952754 3.064089 1.857149
H -0.402332 2.792555 -0.234818
H 2.747846 -2.694870 0.426525
H -1.700459 -2.314692 -1.883744
H 1.444163 -4.734384 -0.171833
H -0.739077 -4.541675 -1.333642
H -3.162707 -1.414963 -0.137068
H -2.879691 2.901712 -0.106313
H -4.572911 -1.332600 1.904884
H -4.293204 2.971324 1.940215
H -5.138935 0.856653 2.947256


%chk=000273671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273671

0 1
S -2.745026 0.091090 -0.625520
O -2.837487 1.100913 -1.919639
O -1.265480 0.753283 0.439751
N 0.037688 -1.306632 -1.171688
C 2.160618 -0.346710 -0.524921
C 2.426766 0.039943 0.984346
C 2.995738 0.531376 -1.526788
C 0.650110 -0.204943 -0.772211
C 3.947700 0.135134 1.279531
C 1.657546 1.339046 1.440527
C 2.325126 -1.840057 -0.831538
C 4.494144 0.619181 -1.158003
C 4.687201 1.079827 0.304647
C 0.778050 2.040865 0.374794
C 1.046003 -2.332290 -1.237841
C -0.105959 1.059377 -0.427997
C 3.426459 -2.714945 -0.813876
C 0.846527 -3.668624 -1.627142
C 3.235157 -4.069095 -1.198248
C 1.962558 -4.539940 -1.603468
C -3.983162 0.826063 0.597775
C -4.700237 1.967790 0.201730
C -4.172749 0.200186 1.844908
C -5.648717 2.508840 1.098607
C -5.123726 0.752760 2.734406
C -5.859046 1.902835 2.360726
H 2.024811 -0.802124 1.580388
H 2.585032 1.557503 -1.549284
H 2.871524 0.116496 -2.544354
H 4.400250 -0.874559 1.217258
H 4.086333 0.475256 2.324752
H 2.384635 2.079112 1.826719
H 1.006566 1.067916 2.291596
H 4.993905 1.322426 -1.852028
H 4.980410 -0.364600 -1.305088
H 5.764377 1.114360 0.556710
H 4.302389 2.114657 0.418301
H 1.406035 2.608855 -0.336450
H 0.109573 2.773263 0.861801
H -0.488211 1.555290 -1.347479
H 4.422346 -2.381368 -0.505718
H -0.146244 -4.011382 -1.934485
H 4.086226 -4.759243 -1.179556
H 1.841473 -5.588207 -1.898783
H -4.504267 2.405361 -0.784618
H -3.593345 -0.685785 2.127005
H -6.221621 3.398052 0.814091
H -5.287572 0.288026 3.712594
H -6.597125 2.325121 3.051759


