%chk=000265292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265292

0 1
S -2.904399 0.502306 -0.058645
O 4.242846 1.581401 -0.528335
O 4.866861 -1.551432 -1.043145
O 4.308451 -0.280181 2.205555
O 7.624319 1.237197 0.808782
N 2.080728 0.719588 -0.607168
N 1.057644 -1.472403 -1.208640
N -1.366996 -1.509618 -0.925582
C 3.496395 0.431440 -0.947053
C 4.027565 -0.808236 -0.165687
C 4.942863 -0.221757 0.939573
C 5.214605 1.234315 0.504985
C 6.591300 1.405847 -0.160313
C 1.012885 -0.166446 -0.774390
C 1.554763 1.955829 -0.139090
C -0.197767 0.525418 -0.390497
C 0.184944 1.852512 0.001753
C -1.381781 -0.229386 -0.495353
C -0.152115 -2.077122 -1.263106
C -4.138890 -0.809196 -0.344406
C -5.435712 -0.175486 0.031155
C -6.190691 0.512492 -0.932825
C -5.909306 -0.264628 1.350355
C -7.407394 1.100784 -0.578704
C -7.126905 0.325990 1.697501
C -7.877952 1.008498 0.735124
H 3.625041 0.355665 -2.053997
H 3.226984 -1.456236 0.252850
H 5.876197 -0.819767 1.087059
H 5.040111 1.962765 1.322293
H 6.673005 2.387680 -0.658829
H 6.796081 0.602216 -0.898767
H 2.214676 2.791306 0.038716
H 4.339189 -2.253958 -1.494158
H 3.449301 0.198992 2.205700
H -0.491901 2.615996 0.339185
H 7.636649 1.985802 1.440634
H -0.185245 -3.123386 -1.606885
H -3.897474 -1.706597 0.261310
H -4.105918 -1.147878 -1.400280
H -5.827810 0.591109 -1.956725
H -5.327302 -0.791512 2.105214
H -7.989984 1.633329 -1.329033
H -7.490894 0.254539 2.721418
H -8.826266 1.467312 1.008153


%chk=000265292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265292

0 1
S -2.898232 0.841733 -0.098280
O 4.446476 1.498370 -0.738093
O 4.985933 -1.646447 -0.710029
O 3.899373 0.328522 2.221161
O 7.783696 0.830744 0.900430
N 2.167251 0.788140 -0.623738
N 1.066452 -1.299412 -1.296196
N -1.367937 -1.244193 -1.048660
C 3.554931 0.368322 -0.950788
C 4.033702 -0.783730 -0.012392
C 4.791397 -0.033187 1.113030
C 5.387306 1.195294 0.397584
C 6.798349 0.964212 -0.181145
C 1.052230 -0.019553 -0.818516
C 1.735062 2.035666 -0.133015
C -0.111766 0.730165 -0.427944
C 0.344594 2.027865 0.005162
C -1.345758 0.030548 -0.568005
C -0.178976 -1.841917 -1.385707
C -4.157224 -0.553999 -0.506969
C -5.524779 -0.142970 -0.021542
C -6.422037 0.540395 -0.882928
C -5.939202 -0.439120 1.303400
C -7.707301 0.915890 -0.432736
C -7.223702 -0.065467 1.755603
C -8.111680 0.613562 0.888406
H 3.591405 0.066628 -2.012581
H 3.184275 -1.360440 0.392050
H 5.573468 -0.659678 1.563886
H 5.378199 2.077868 1.065039
H 7.047958 1.794161 -0.872146
H 6.835417 0.009692 -0.727475
H 2.460010 2.829686 0.029796
H 4.484009 -2.268178 -1.295595
H 3.129423 0.855985 1.881496
H -0.262479 2.857238 0.362133
H 7.890478 1.702441 1.359200
H -0.245916 -2.864722 -1.766668
H -3.769208 -1.457070 -0.013295
H -4.109098 -0.698486 -1.596492
H -6.110686 0.775795 -1.907879
H -5.251572 -0.963489 1.977761
H -8.391338 1.439852 -1.109510
H -7.532846 -0.304115 2.779341
H -9.108958 0.902504 1.238548


