%chk=000200968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200968

0 1
S -4.943636 -0.044084 -0.635341
S 2.450817 3.063876 -1.174859
O -4.042999 -1.054616 0.368571
O 2.079177 2.488673 0.362213
O -4.385571 -0.134549 -1.955690
O -5.008709 1.231805 0.029841
O 1.715699 4.285375 -1.359080
O 2.260079 1.971991 -2.096687
N 0.106572 -0.878607 1.604293
C -1.032246 -1.047389 2.567476
C 1.166377 0.014686 2.179731
C 0.662283 -2.215399 1.207042
C -2.283397 -1.564826 1.842732
C 0.743105 1.485743 2.029482
C 1.667791 -2.114791 0.083761
C -2.701500 -0.627368 0.710405
C 0.748521 1.954989 0.575802
C 2.695376 -3.069103 0.005015
C 1.576795 -1.117955 -0.896295
C 3.617091 -3.018828 -1.044092
C 2.510393 -1.060461 -1.934143
C 3.529586 -2.014042 -2.013445
C -6.451545 -0.898368 -0.526636
C 4.137268 3.373453 -0.901464
H -1.256453 -0.053710 3.019338
H -0.788684 -1.726843 3.413215
H 2.118978 -0.142695 1.621585
H 1.389823 -0.206950 3.244321
H 1.100438 -2.764724 2.070167
H -0.193002 -2.835824 0.838495
H -2.116700 -2.583099 1.438070
H -3.120041 -1.665530 2.564106
H -0.263877 1.647297 2.463259
H 1.440065 2.125183 2.612727
H -2.063472 -0.743064 -0.186252
H -2.728425 0.430719 1.030506
H 0.020680 2.767442 0.397938
H 0.584031 1.115579 -0.139896
H 2.777551 -3.851017 0.755292
H 0.781679 -0.364442 -0.839841
H 4.407303 -3.764321 -1.104932
H 2.440553 -0.252441 -2.670498
H 4.250420 -1.974880 -2.826185
H -6.381317 -1.808085 0.094841
H -6.827333 -1.240374 -1.504131
H -7.259235 -0.297991 -0.079393
H 4.798280 2.780502 -1.553232
H 4.451804 3.133436 0.129432
H 4.416206 4.427626 -1.055962


%chk=000200968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200968

0 1
S -4.890080 0.110807 -0.857094
S 2.280449 2.949419 -1.134669
O -3.981824 -1.098397 0.250471
O 2.053896 2.289569 0.596046
O -4.215458 0.165636 -2.326234
O -5.140086 1.483129 -0.029705
O 2.330455 4.565938 -1.106644
O 1.251662 2.202274 -2.142390
N 0.182167 -0.860594 1.734939
C -0.995275 -1.147158 2.597344
C 1.158866 0.055546 2.388612
C 0.828456 -2.118718 1.266622
C -2.249560 -1.610940 1.819271
C 0.697248 1.528864 2.415048
C 1.799177 -1.928282 0.106215
C -2.740191 -0.537863 0.837855
C 0.635372 2.178534 1.025271
C 3.057275 -2.580943 0.113710
C 1.441611 -1.147815 -1.021989
C 3.937194 -2.469798 -0.988036
C 2.317932 -1.029925 -2.123341
C 3.568064 -1.695231 -2.112551
C -6.468362 -0.939343 -0.906022
C 4.032811 2.246847 -1.303837
H -1.249687 -0.224940 3.151189
H -0.752548 -1.920837 3.369229
H 2.103219 0.000790 1.820067
H 1.384110 -0.275633 3.433332
H 1.356062 -2.638795 2.106268
H 0.020060 -2.800237 0.939229
H -2.054253 -2.547185 1.265410
H -3.052820 -1.829678 2.548164
H -0.307410 1.621787 2.873113
H 1.389706 2.112484 3.051043
H -1.989710 -0.351443 0.048979
H -2.972364 0.408390 1.365980
H 0.182342 3.186302 1.077080
H 0.076745 1.540716 0.316047
H 3.348986 -3.181627 0.984767
H 0.480844 -0.622540 -1.030622
H 4.904171 -2.985505 -0.969169
H 2.019022 -0.417131 -2.980399
H 4.243393 -1.615619 -2.972474
H -6.168435 -1.914069 -1.311724
H -7.167030 -0.403921 -1.563299
H -6.822087 -1.004811 0.130375
H 3.924738 1.154555 -1.275049
H 4.595031 2.643266 -0.448323
H 4.412716 2.616123 -2.266502


