%chk=000278635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278635

0 1
S 1.279770 -0.709804 1.588643
O 0.092106 -0.273689 0.425111
O 1.040687 -2.100528 1.856672
O 1.144543 0.284919 2.625461
O 0.700576 2.544338 -0.581557
N -4.299517 0.793241 1.292183
N -1.035812 1.676225 -1.752074
C -2.095566 0.631383 0.727104
C -0.645813 0.935563 0.625207
C -2.798863 -0.455876 0.090534
C -4.180795 -0.331834 0.455072
C -3.025399 1.362335 1.457933
C -2.396909 -1.525918 -0.732549
C -5.158115 -1.236281 -0.008197
C -0.262463 1.789156 -0.614079
C 2.716085 -0.504396 0.687569
C -3.359105 -2.410533 -1.184679
C -4.726807 -2.263979 -0.827601
C 3.087341 0.761356 0.214288
C 3.533240 -1.613356 0.422422
C 5.094620 -0.188260 -0.766848
C 4.270954 0.919469 -0.506611
C 4.715758 -1.460053 -0.296135
C 6.368165 -0.017043 -1.523645
H -0.285745 1.479328 1.545226
H -2.870829 2.234029 2.072552
H -5.143059 1.116172 1.723742
H -1.338018 -1.642998 -0.971171
H -6.199179 -1.128404 0.275274
H -3.074837 -3.248778 -1.818185
H -5.443710 -2.990355 -1.209303
H 2.446154 1.639639 0.393538
H 3.239518 -2.607457 0.781923
H 4.548971 1.908042 -0.870715
H 5.346620 -2.324335 -0.494483
H -1.794542 1.015988 -1.828136
H -0.781055 2.179108 -2.587604
H 7.196977 0.223388 -0.838462
H 6.659308 -0.922807 -2.073480
H 6.314343 0.799703 -2.257743


%chk=000278635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278635

0 1
S 1.411386 -0.286148 1.715655
O 0.169739 -0.172352 0.258286
O 1.241513 -1.692676 2.495300
O 1.225159 1.111520 2.533229
O 0.609935 2.317243 -1.108344
N -4.171906 0.186548 1.729279
N -1.644266 2.109303 -1.619666
C -2.163891 0.476092 0.682972
C -0.771875 0.959442 0.414690
C -2.959688 -0.463982 -0.097510
C -4.219428 -0.619019 0.581775
C -2.936234 0.834672 1.789900
C -2.723020 -1.204283 -1.287601
C -5.242546 -1.464881 0.099533
C -0.537463 1.847842 -0.847876
C 3.003011 -0.316370 0.726061
C -3.740041 -2.047387 -1.774133
C -4.986495 -2.174166 -1.091150
C 3.241590 0.719509 -0.192112
C 3.885516 -1.381955 0.965686
C 5.409804 -0.363795 -0.685392
C 4.465023 0.676981 -0.896207
C 5.099728 -1.391027 0.245043
C 6.731617 -0.368763 -1.430626
H -0.419370 1.582406 1.269530
H -2.682495 1.496306 2.616423
H -4.914182 0.271826 2.420356
H -1.757915 -1.134851 -1.799658
H -6.196047 -1.575946 0.627664
H -3.571769 -2.628960 -2.687119
H -5.754821 -2.842825 -1.494812
H 2.490113 1.495553 -0.386686
H 3.628954 -2.172392 1.677772
H 4.680233 1.463567 -1.628307
H 5.811314 -2.208319 0.408289
H -2.548617 1.688347 -1.405576
H -1.537249 2.701503 -2.443052
H 7.493788 0.215869 -0.879740
H 7.127094 -1.391948 -1.552242
H 6.633398 0.084218 -2.432435


