%chk=000215367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215367

0 1
S 4.533841 -0.945410 1.820526
S 1.945786 -0.578473 -2.653023
O -2.622222 -1.889903 0.406114
O -2.078323 2.856575 -0.304878
O -3.774739 0.584283 0.352755
N 2.692935 0.359441 -0.291082
C 2.472036 0.715540 1.140002
C 4.123504 0.143044 -0.652730
C 2.795035 -0.471410 2.040675
C 4.656107 -1.117003 0.017073
C 1.682682 -0.001764 -1.120856
C 0.268111 0.155941 -0.684955
C -0.310520 1.420664 -0.659745
C -0.458473 -0.990512 -0.327500
C -1.802081 -0.853081 0.034233
C -1.664189 1.554941 -0.273217
C -2.423878 0.424031 0.086031
C -2.113908 -3.240790 0.251556
C -3.471115 3.152454 -0.015196
C -4.197520 0.080655 1.649743
H 1.419841 1.051058 1.300801
H 3.114287 1.594295 1.389531
H 4.702358 1.044653 -0.342859
H 4.238910 0.069964 -1.765575
H 2.661369 -0.212859 3.109903
H 2.130870 -1.332600 1.834571
H 4.113845 -2.020064 -0.327818
H 5.725367 -1.279454 -0.224905
H 0.237688 2.311475 -0.963312
H 0.014315 -1.966711 -0.384257
H -1.280753 -3.412185 0.937803
H -1.831747 -3.424792 -0.790431
H -2.991125 -3.838691 0.530630
H -3.682716 2.938719 1.035571
H -4.128038 2.568695 -0.671658
H -3.519593 4.224419 -0.237440
H -3.634105 0.563919 2.449364
H -4.082178 -1.010098 1.679497
H -5.255063 0.364334 1.666758


%chk=000215367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215367

0 1
S 5.142547 -0.276199 1.753843
S 1.876217 -1.491656 -2.175981
O -3.020490 -1.989554 0.188200
O -1.951944 2.770751 0.396192
O -3.841325 0.657268 0.662214
N 2.629956 0.284034 -0.234099
C 2.554504 0.798252 1.161602
C 4.005671 0.269915 -0.792787
C 3.298294 -0.131869 2.143934
C 4.921511 -0.735030 -0.073064
C 1.606206 -0.407784 -0.856104
C 0.204734 -0.140199 -0.402672
C -0.255169 1.183968 -0.198856
C -0.708493 -1.216961 -0.280697
C -2.052343 -0.978166 0.071937
C -1.600387 1.431342 0.153765
C -2.513122 0.352271 0.327349
C -2.616437 -3.354300 -0.170516
C -3.097845 3.316132 -0.367084
C -4.416348 -0.020738 1.846395
H 1.499705 0.874552 1.464714
H 3.002208 1.809654 1.192994
H 4.419878 1.291339 -0.692722
H 3.927470 -0.000073 -1.860361
H 3.245053 0.276880 3.167007
H 2.853141 -1.141713 2.133941
H 4.513453 -1.756156 -0.145695
H 5.935553 -0.715577 -0.505070
H 0.402672 2.046286 -0.342022
H -0.348461 -2.223362 -0.508648
H -1.830692 -3.733741 0.510599
H -2.256877 -3.399902 -1.215501
H -3.528506 -3.959113 -0.061170
H -4.015052 2.741727 -0.160168
H -2.872538 3.300743 -1.450914
H -3.200156 4.355858 -0.020849
H -3.807280 0.198601 2.743568
H -4.477494 -1.107938 1.679295
H -5.421214 0.413756 1.959132


