%chk=000278181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278181

0 1
S 1.458958 0.993889 0.101270
O -0.854492 1.210250 0.558812
O 0.990470 1.772552 -1.028861
O 1.270770 1.399893 1.495187
N 3.199532 0.919520 -0.090023
C -1.487008 0.025617 0.046380
C -2.589533 -0.455497 1.008195
C -2.010568 0.448256 -1.340247
C -3.743119 0.552259 1.081898
C -3.198445 1.409505 -1.225371
C -4.301112 0.853507 -0.315742
C -0.379399 -1.028233 -0.119218
C 0.977857 -0.678271 -0.086925
C -0.745676 -2.366239 -0.331777
C 1.950479 -1.675435 -0.217107
C 0.230473 -3.353644 -0.476980
C 1.583605 -3.010403 -0.410197
C 3.669200 1.327464 -1.439399
C 3.966362 1.579007 0.997171
H -2.165643 -0.628271 2.015375
H -2.979959 -1.436361 0.671239
H -2.281335 -0.443069 -1.931381
H -1.178342 0.963447 -1.878744
H -3.386809 1.493292 1.548109
H -4.541647 0.161963 1.739022
H -3.601583 1.627247 -2.231034
H -2.832198 2.377300 -0.819984
H -4.735220 -0.062064 -0.758678
H -5.130291 1.581663 -0.241332
H -0.827016 1.243653 1.552548
H -1.800072 -2.639375 -0.383334
H 3.018122 -1.427032 -0.169900
H -0.063386 -4.390823 -0.639705
H 2.349727 -3.776813 -0.510285
H 4.755587 1.164384 -1.524811
H 3.456106 2.382827 -1.686079
H 3.176644 0.704823 -2.205961
H 3.536456 1.306150 1.980774
H 3.976645 2.679430 0.935772
H 5.009060 1.221931 0.976420


%chk=000278181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278181

0 1
S 1.697102 1.178097 -0.687315
O -1.209038 1.429347 -1.047412
O 2.019635 1.821508 -2.140658
O 0.886572 2.086861 0.438846
N 3.428478 0.751496 0.074789
C -1.562677 0.125456 -0.480579
C -1.871124 0.241908 1.047764
C -2.847254 -0.279557 -1.260007
C -3.046120 1.208913 1.324427
C -3.999945 0.712224 -0.984751
C -4.309403 0.809406 0.527921
C -0.410968 -0.897083 -0.686994
C 0.972849 -0.599983 -0.802746
C -0.719270 -2.287674 -0.744976
C 1.973384 -1.565586 -1.041790
C 0.256547 -3.281868 -0.957682
C 1.611391 -2.925242 -1.122728
C 4.370440 1.842840 -0.295576
C 3.261885 0.578759 1.543255
H -0.959253 0.581974 1.575403
H -2.119039 -0.767333 1.433867
H -3.178761 -1.292441 -0.963841
H -2.603509 -0.304295 -2.337884
H -2.747507 2.236815 1.041342
H -3.258094 1.221813 2.411074
H -4.901057 0.389240 -1.541296
H -3.709171 1.706749 -1.368926
H -4.681253 -0.171583 0.893763
H -5.118189 1.544259 0.704814
H -0.660029 1.952786 -0.383893
H -1.762169 -2.596572 -0.634569
H 3.016375 -1.247193 -1.123477
H -0.046078 -4.333649 -1.002880
H 2.378569 -3.683840 -1.306789
H 5.392342 1.443662 -0.160748
H 4.251765 2.761882 0.315601
H 4.228625 2.093033 -1.360281
H 2.547244 -0.236445 1.746655
H 2.921740 1.499210 2.059785
H 4.248165 0.280404 1.943590


