%chk=000296479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296479

0 1
S 2.906909 2.987416 0.554225
O -2.815587 -1.051728 0.504359
O -4.377074 1.469342 -1.118095
O -6.368953 -0.693084 1.181146
O 5.235740 -1.145716 0.220744
N -1.128193 0.231064 -0.539316
N -0.263365 2.327358 -0.111549
N 0.977001 -1.097596 -0.292589
N 2.911640 0.335682 0.255040
N 3.105145 -2.055143 -0.005695
C -2.116913 -0.846146 -0.736758
C -4.383655 0.041838 -0.964638
C -3.181590 -0.459844 -1.777606
C -4.076598 -0.329618 0.510811
C -5.074957 -1.303448 1.153897
C 0.238724 0.050621 -0.280816
C -1.370279 1.649696 -0.400104
C 0.771551 1.374981 -0.026398
C 2.150983 1.453914 0.242656
C 2.315372 -0.884083 -0.014545
C 4.634598 2.604186 0.882228
C 4.529914 -2.117460 0.142817
C 5.023303 -3.538603 0.175772
H -1.583858 -1.813357 -0.914771
H -5.353424 -0.348587 -1.328017
H -3.447081 -1.325012 -2.409501
H -2.833420 0.329736 -2.478969
H -3.927325 0.579232 1.134492
H -4.831301 -1.461610 2.225218
H -5.097950 -2.279523 0.643344
H -5.148579 1.873611 -0.665406
H -2.371327 2.055161 -0.547724
H -6.867269 -0.900024 0.366258
H 2.576385 -2.928086 -0.135070
H 4.954746 1.643008 0.432704
H 4.821819 2.523491 1.959351
H 5.260128 3.398266 0.459437
H 4.598181 -4.114509 1.009188
H 6.118857 -3.547735 0.308815
H 4.812802 -4.081590 -0.755332


%chk=000296479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296479

0 1
S 2.843663 3.115242 0.683661
O -2.699942 -1.363079 0.182330
O -4.607794 1.367881 -1.130301
O -6.065792 -0.294336 1.229511
O 5.237403 -1.193349 0.607155
N -1.101731 0.257297 -0.711439
N -0.323589 2.364867 -0.205788
N 0.983709 -1.033202 -0.380765
N 2.849181 0.397253 0.294799
N 3.082682 -1.963620 0.001417
C -2.015258 -0.852278 -1.025259
C -4.353669 -0.075918 -1.047349
C -3.165829 -0.440548 -1.975052
C -3.877026 -0.490613 0.379093
C -4.931422 -1.240402 1.184204
C 0.250575 0.107733 -0.386062
C -1.388609 1.639240 -0.579268
C 0.718670 1.425781 -0.078377
C 2.091133 1.521579 0.271278
C 2.290286 -0.799907 -0.023267
C 4.621116 2.575472 1.034323
C 4.452265 -2.125492 0.299724
C 4.892677 -3.590217 0.210615
H -1.389656 -1.684800 -1.380266
H -5.269229 -0.630895 -1.326768
H -3.421250 -1.303007 -2.610571
H -2.907278 0.406756 -2.629193
H -3.579757 0.427685 0.926820
H -4.555778 -1.474032 2.199243
H -5.213445 -2.182123 0.670702
H -5.354320 1.573282 -0.509567
H -2.385021 2.033941 -0.779906
H -6.765687 -0.628248 1.841472
H 2.547344 -2.802760 -0.238306
H 4.670623 1.482739 0.885222
H 4.859172 2.843263 2.073797
H 5.281085 3.100784 0.329103
H 4.349430 -4.214414 0.944356
H 5.969173 -3.646208 0.425726
H 4.706992 -4.005245 -0.797440


