%chk=000217974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217974

0 1
S 2.331094 0.189832 1.015225
O 0.282037 -3.062693 1.402199
O -0.987745 -0.911068 -1.604041
O 5.118030 -2.458282 -0.760811
O 5.114087 -1.892961 1.407284
N -0.067902 1.533937 0.563931
N -0.082940 -0.823164 0.977468
C 0.561747 2.861970 0.398411
C 1.167214 3.024510 -1.014785
C -0.522426 3.928503 0.675108
C 0.096121 3.112211 -2.108055
C -1.573254 4.000429 -0.439094
C -0.919929 4.222037 -1.809301
C 0.544566 0.445923 0.789480
C 2.217015 -1.604116 1.303680
C 0.734905 -1.956190 1.233533
C 2.997141 -2.351995 0.238306
C -1.496187 -0.969899 0.700003
C -1.970436 -0.938873 -0.637691
C -2.405107 -1.123035 1.752308
C 4.476273 -2.187214 0.426461
C -3.342402 -1.014429 -0.905100
C -3.773660 -1.219072 1.477814
C -4.235753 -1.156721 0.160210
C -1.294174 -0.214677 -2.837379
H 1.384431 2.997578 1.155179
H 1.859609 2.189550 -1.234095
H 1.785055 3.943994 -1.024820
H -0.026751 4.910680 0.793140
H -1.020973 3.709326 1.640013
H 0.575415 3.285814 -3.088667
H -0.436087 2.134452 -2.184607
H -2.154754 3.055311 -0.449465
H -2.295534 4.808608 -0.223822
H -0.420760 5.209221 -1.835525
H -1.694284 4.250009 -2.597683
H 2.615340 -1.834659 2.328992
H 2.746662 -3.444556 0.271964
H 2.701955 -2.037265 -0.793202
H -2.043747 -1.162059 2.780965
H -3.706098 -0.979299 -1.928589
H -4.478840 -1.339087 2.298027
H -5.304848 -1.224293 -0.043054
H 6.107772 -2.378532 -0.689672
H -1.249464 0.871178 -2.635811
H -2.258666 -0.517149 -3.250250
H -0.469951 -0.530685 -3.488584


%chk=000217974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217974

0 1
S 2.467432 0.306996 0.963092
O 0.297933 -3.044824 1.187888
O -0.917465 -0.805082 -1.770150
O 5.333188 -2.933361 -0.337716
O 5.058829 -1.954406 1.751095
N -0.014209 1.605511 0.430184
N -0.031049 -0.741754 0.813621
C 0.678213 2.904288 0.270385
C 0.985542 3.153564 -1.235072
C -0.226918 4.028748 0.834138
C -0.303039 3.335687 -2.070742
C -1.517616 4.199406 -0.000281
C -1.192670 4.462253 -1.490842
C 0.617336 0.521070 0.681775
C 2.236042 -1.549395 1.271336
C 0.745791 -1.872914 1.092691
C 3.085497 -2.418560 0.330903
C -1.449308 -0.857035 0.557227
C -1.908622 -0.887518 -0.788757
C -2.359158 -0.960078 1.622418
C 4.557693 -2.383370 0.689104
C -3.295333 -1.004363 -1.047046
C -3.743750 -1.085213 1.366921
C -4.202718 -1.102384 0.032432
C -1.346182 -0.817284 -3.171715
H 1.643213 2.901119 0.829449
H 1.594024 2.317862 -1.630086
H 1.603856 4.072182 -1.303118
H 0.354020 4.973829 0.824536
H -0.475181 3.804948 1.888570
H -0.036638 3.557853 -3.122751
H -0.869813 2.383883 -2.065727
H -2.117010 3.272928 0.085192
H -2.125773 5.027036 0.413275
H -0.661939 5.433266 -1.586498
H -2.128667 4.549218 -2.076444
H 2.526624 -1.741503 2.318514
H 2.735349 -3.467515 0.417756
H 2.953891 -2.123962 -0.724159
H -1.975802 -0.940416 2.647608
H -3.672318 -1.025741 -2.073637
H -4.450293 -1.166528 2.198466
H -5.274127 -1.195657 -0.176962
H 6.291675 -2.924894 -0.067590
H -2.003022 0.044869 -3.396806
H -1.866608 -1.761524 -3.422421
H -0.417119 -0.738139 -3.754458


