%chk=000225112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225112

0 1
S -0.396954 -1.203240 0.732190
O -0.467332 -1.393542 2.174810
O -0.013914 -2.336761 -0.090554
N 0.689925 0.110755 0.418585
N -5.606344 0.903899 -1.111573
C 2.860497 1.135366 -0.239312
C 2.171971 -0.143478 0.330196
C 4.381316 0.917919 -0.346814
C 2.561893 2.361908 0.640117
C 2.486982 -1.337531 -0.592286
C 4.703275 -0.283044 -1.243298
C 4.000034 -1.544977 -0.730207
C 1.048797 2.562571 0.745069
C 0.375326 1.292861 1.286134
C -1.906258 -0.581694 0.190265
C -2.975025 -0.464795 1.091223
C -2.087707 -0.225820 -1.152992
C -4.211787 0.004646 0.670672
C -3.313711 0.248176 -1.603689
C -4.388919 0.369642 -0.688383
H 2.447546 1.319516 -1.261081
H 2.582288 -0.351300 1.353307
H 4.817098 0.763459 0.658558
H 4.861901 1.828422 -0.750010
H 3.037979 3.263035 0.211899
H 3.002739 2.233652 1.646648
H 2.025341 -1.184992 -1.586478
H 2.033676 -2.279963 -0.210458
H 5.796177 -0.445622 -1.282062
H 4.387402 -0.073487 -2.283329
H 4.192245 -2.391427 -1.416957
H 4.427980 -1.844221 0.246238
H 0.813536 3.418052 1.404630
H 0.631151 2.810969 -0.250936
H 0.692538 1.114956 2.340509
H -0.726668 1.451738 1.300713
H -2.830625 -0.750789 2.142310
H -1.256162 -0.321824 -1.860220
H -5.031605 0.094937 1.376633
H -3.442638 0.526295 -2.645019
H -5.799242 0.974761 -2.096601
H -6.419122 0.805972 -0.526448


%chk=000225112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225112

0 1
S -0.367699 -1.296979 0.039914
O -0.190733 -1.834810 1.580493
O -0.168567 -2.314929 -1.216748
N 0.789808 0.260271 -0.256020
N -6.016812 0.857731 -0.438259
C 3.082946 1.168877 -0.207652
C 2.212934 -0.093900 0.108729
C 4.573092 0.879935 0.101317
C 2.577156 2.408758 0.561902
C 2.734473 -1.321520 -0.671301
C 5.101959 -0.353562 -0.661461
C 4.225356 -1.589273 -0.361635
C 1.076599 2.641998 0.306548
C 0.277619 1.359627 0.628441
C -2.086541 -0.574023 -0.104946
C -2.843711 -0.397859 1.067391
C -2.603541 -0.309850 -1.386989
C -4.160532 0.080703 0.954717
C -3.918867 0.174068 -1.496309
C -4.715828 0.380517 -0.327564
H 2.977237 1.359104 -1.296903
H 2.283444 -0.300706 1.204768
H 4.691460 0.715739 1.193306
H 5.171088 1.778398 -0.151636
H 3.164639 3.298848 0.264113
H 2.749663 2.258106 1.648434
H 2.591989 -1.141549 -1.754443
H 2.142281 -2.219241 -0.424578
H 6.156054 -0.550568 -0.385348
H 5.086093 -0.147511 -1.751548
H 4.568829 -2.460370 -0.951238
H 4.335376 -1.865388 0.707643
H 0.686106 3.468134 0.931637
H 0.906950 2.911961 -0.753043
H 0.390864 1.107153 1.707771
H -0.791613 1.520133 0.411465
H -2.408484 -0.654206 2.039366
H -1.994947 -0.498821 -2.276783
H -4.768989 0.218128 1.856150
H -4.340287 0.385967 -2.485825
H -6.424884 1.055323 -1.347460
H -6.596380 0.990585 0.385584


