%chk=000299554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299554

0 1
S 2.648490 2.365345 0.139363
S -1.036009 -0.402829 -0.389637
O 2.054312 2.812646 1.379032
O 3.667761 3.134241 -0.532597
O -0.238733 -0.377130 0.825662
O -0.871602 -1.479183 -1.340261
O 5.851311 -3.462075 0.180843
O -7.647298 -0.180332 0.276604
O 4.279709 -3.929331 1.593577
O -7.071214 0.505742 2.248432
N 1.327746 2.223179 -0.940018
N -0.742955 1.077266 -1.235925
N 4.855232 -3.179817 0.824785
N -6.822201 0.112462 1.123233
C -0.084886 2.189266 -0.476665
C 1.418503 1.574394 -2.274014
C 0.012949 0.962553 -2.525043
C 3.265083 0.744806 0.332731
C -2.714072 -0.256388 0.049265
C 4.459489 0.393408 -0.308824
C -3.701681 -0.592974 -0.879762
C 2.596300 -0.170563 1.143651
C -3.054336 0.187079 1.330230
C 4.985470 -0.889332 -0.153916
C -5.052032 -0.474719 -0.533967
C 3.111259 -1.464774 1.309177
C -4.399875 0.309993 1.690174
C 4.298178 -1.805893 0.656398
C -5.382265 -0.020436 0.748418
H -0.159707 2.076302 0.631433
H -0.588602 3.143652 -0.780712
H 2.213069 0.801492 -2.305196
H 1.665130 2.343154 -3.039881
H -0.541328 1.548684 -3.291639
H 0.068664 -0.085762 -2.891021
H 4.992902 1.129946 -0.925190
H -3.429376 -0.959937 -1.876821
H 1.655697 0.097624 1.655163
H -2.272628 0.428893 2.062701
H 5.917629 -1.184206 -0.647871
H -5.843110 -0.732816 -1.248134
H 2.589227 -2.196551 1.937243
H -4.688499 0.656223 2.689980


%chk=000299554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299554

0 1
S 2.984739 2.417761 0.049609
S -0.890018 0.176706 0.122244
O 2.479775 2.947314 1.502680
O 4.217023 3.091353 -0.754656
O -0.315217 0.565195 1.602967
O -0.319570 -1.104311 -0.722317
O 5.480853 -3.939213 -0.177405
O -7.505330 -1.442648 -0.072645
O 3.937544 -4.207181 1.481056
O -7.537826 0.093695 1.614696
N 1.471225 2.666040 -1.098136
N -0.789280 1.813415 -0.971719
N 4.551019 -3.495728 0.598695
N -6.930602 -0.597682 0.712535
C 0.169686 2.783443 -0.371828
C 1.328927 1.654518 -2.201018
C -0.211592 1.472271 -2.317264
C 3.430215 0.566036 0.207760
C -2.755083 -0.045356 0.292397
C 4.464798 0.086635 -0.615944
C -3.382173 -0.973619 -0.554154
C 2.753082 -0.209978 1.162975
C -3.419691 0.700716 1.280113
C 4.838181 -1.266279 -0.484044
C -4.773545 -1.157766 -0.412499
C 3.130279 -1.563571 1.291103
C -4.810398 0.515160 1.418782
C 4.158948 -2.063500 0.463997
C -5.458331 -0.404823 0.565389
H 0.288743 2.651293 0.724303
H -0.252246 3.789032 -0.558485
H 1.807006 0.685768 -1.948184
H 1.772469 2.044794 -3.130441
H -0.649495 2.197959 -3.026099
H -0.495596 0.451522 -2.620591
H 4.973981 0.761503 -1.311161
H -2.798025 -1.549387 -1.278626
H 1.957614 0.215941 1.782270
H -2.868624 1.383629 1.933391
H 5.635025 -1.705869 -1.088966
H -5.325895 -1.866115 -1.034898
H 2.640277 -2.226088 2.008532
H -5.391173 1.060717 2.166589


