%chk=000282199.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282199

0 1
S -0.252970 -2.674707 0.046928
O -1.069692 -2.861483 1.227458
O -0.686095 -3.257031 -1.201321
N 2.886114 -1.215645 -0.699147
C 0.389362 -0.996920 -0.111362
C 1.823720 -1.514871 0.310239
C -0.244934 -0.040001 0.933837
C 0.224199 -0.415658 -1.522811
C 1.451483 -3.016115 0.415515
C -0.510915 0.959703 -1.470923
C -1.696208 0.158865 0.518216
C 0.429900 1.311028 0.768130
C -1.840934 0.713245 -0.780828
C 0.286575 1.853681 -0.538801
C -2.813274 -0.151666 1.280502
C 1.131914 2.002042 1.744710
C -3.101407 0.964524 -1.303389
C 0.852298 3.080225 -0.855061
C 3.992352 -2.219780 -0.683990
C 3.453292 0.148436 -0.469067
C -4.089338 0.106158 0.748953
C 1.701956 3.246364 1.419190
C -4.230847 0.658626 -0.523395
C 1.565017 3.776847 0.137855
H 2.089021 -1.109870 1.318096
H -0.159163 -0.436907 1.967292
H -0.342333 -1.106498 -2.182008
H 1.207446 -0.288052 -2.020522
H 1.958525 -3.664205 -0.318129
H 1.659773 -3.465368 1.392917
H -0.623537 1.385392 -2.486281
H -2.709649 -0.608992 2.264068
H 1.237151 1.601234 2.749688
H -3.222462 1.387263 -2.297236
H 0.745999 3.505929 -1.849941
H 3.595213 -3.202644 -0.992304
H 4.743425 -1.931552 -1.438050
H 4.499902 -2.334817 0.284418
H 4.007337 0.267104 0.473200
H 4.130342 0.394665 -1.302840
H 2.641815 0.896816 -0.485248
H -4.971547 -0.136566 1.338880
H 2.249312 3.798308 2.181119
H -5.224535 0.852457 -0.924126
H 2.007100 4.742536 -0.101431


%chk=000282199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282199

0 1
S -0.463226 -2.738702 0.074441
O -1.052506 -3.009546 1.580662
O -1.251959 -3.274607 -1.254466
N 2.987226 -1.269100 -0.607511
C 0.454823 -0.906501 -0.123187
C 1.820096 -1.642309 0.226414
C -0.182166 0.039841 0.933501
C 0.249030 -0.382008 -1.550259
C 1.433289 -3.136391 0.025567
C -0.515571 0.994875 -1.485439
C -1.656307 0.188501 0.536858
C 0.479116 1.402869 0.730231
C -1.837306 0.719980 -0.767565
C 0.294448 1.922885 -0.582077
C -2.764430 -0.157621 1.330960
C 1.193040 2.134703 1.696668
C -3.131989 0.920839 -1.278952
C 0.831840 3.176961 -0.925782
C 4.117513 -2.222192 -0.455354
C 3.459626 0.114487 -0.354974
C -4.068541 0.053368 0.819960
C 1.732011 3.399132 1.350270
C -4.251489 0.590390 -0.475523
C 1.555127 3.915846 0.045289
H 2.020085 -1.461663 1.313911
H -0.061448 -0.358243 1.954152
H -0.346548 -1.103199 -2.145528
H 1.232694 -0.279565 -2.042378
H 1.623723 -3.499155 -0.995250
H 1.713507 -3.850734 0.810638
H -0.659495 1.404759 -2.498951
H -2.617955 -0.606617 2.318136
H 1.324116 1.736002 2.709383
H -3.273999 1.324586 -2.288104
H 0.689220 3.581878 -1.934456
H 3.812195 -3.245127 -0.729871
H 4.929828 -1.919912 -1.138819
H 4.530582 -2.247522 0.582966
H 3.775971 0.276331 0.704245
H 4.324167 0.320315 -1.009585
H 2.672471 0.846487 -0.585197
H -4.940171 -0.213196 1.427531
H 2.282880 3.981537 2.097115
H -5.264898 0.743996 -0.862917
H 1.972084 4.895440 -0.213754


