%chk=000235831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235831

0 1
S -4.413359 -0.628194 -0.083821
O -3.940044 -2.227579 0.202542
O -5.274876 -0.327739 1.033917
O -4.932301 -0.608597 -1.424680
N 1.905688 1.646357 -0.607289
N 3.386418 -3.777778 0.170328
C 0.883224 2.203545 0.332774
C 3.093270 2.546652 -0.751610
C -0.428883 1.463615 0.213024
C 2.284749 0.268951 -0.329170
C -0.883862 0.985250 -1.025921
C -1.225338 1.294533 1.359494
C 3.925121 2.756672 0.513211
C 2.293044 -0.306747 0.951606
C 2.621104 -0.517051 -1.449582
C -2.906150 0.167069 0.027596
C -2.114100 0.335845 -1.116306
C -2.457123 0.647884 1.264143
C 2.618971 -1.651396 1.117900
C 2.956018 -1.857329 -1.292426
C 2.957644 -2.435480 -0.003714
H 0.704688 3.269854 0.045349
H 1.231147 2.224121 1.390571
H 3.732703 2.112103 -1.554530
H 2.725680 3.522660 -1.138796
H -0.258441 1.112870 -1.913705
H -0.884611 1.662327 2.325577
H 3.370096 3.285577 1.293960
H 4.261020 1.800372 0.936200
H 4.824263 3.345718 0.297617
H 2.038267 0.290789 1.825421
H 2.609676 -0.070433 -2.444395
H -2.463475 -0.035800 -2.086773
H -3.076039 0.522311 2.160079
H 2.622127 -2.087703 2.113408
H 3.221991 -2.455056 -2.160803
H 3.058701 -4.236840 1.008934
H 3.290586 -4.376123 -0.638589
H -4.635094 -2.831330 0.494559


%chk=000235831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235831

0 1
S -4.999420 0.336256 -0.271157
O -5.147551 -1.239003 0.709518
O -5.931192 1.460460 0.427719
O -5.184704 -0.022968 -1.838471
N 1.907603 1.115325 -0.038275
N 4.605127 -3.922006 -0.177118
C 0.954201 1.422827 1.025052
C 2.286783 2.222957 -0.933676
C -0.519300 1.145801 0.691434
C 2.588790 -0.131109 -0.068660
C -0.875812 0.368332 -0.437567
C -1.539299 1.675012 1.524854
C 3.427564 3.120885 -0.391975
C 2.103251 -1.256371 0.662692
C 3.769479 -0.325280 -0.844085
C -3.200012 0.645154 0.124659
C -2.230918 0.104011 -0.734034
C -2.900631 1.427558 1.251957
C 2.768701 -2.497163 0.632824
C 4.425203 -1.571362 -0.886347
C 3.944965 -2.684819 -0.143641
H 1.050430 2.493400 1.297490
H 1.223723 0.860278 1.942113
H 2.567260 1.807346 -1.919338
H 1.386610 2.843533 -1.109423
H -0.082755 -0.024287 -1.081356
H -1.270771 2.287369 2.394306
H 3.142132 3.585492 0.569957
H 4.349611 2.537955 -0.223421
H 3.653758 3.933873 -1.107036
H 1.177523 -1.182505 1.243269
H 4.198576 0.502147 -1.417145
H -2.524373 -0.489060 -1.605753
H -3.700712 1.839853 1.874537
H 2.358200 -3.335962 1.208928
H 5.331560 -1.676505 -1.496157
H 4.255108 -4.712432 0.354515
H 5.436199 -4.053135 -0.744593
H -6.082406 -1.577954 0.589504


