%chk=000289118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289118

0 1
S -4.567954 -1.778495 -0.928423
O 6.617561 0.121288 -0.050195
O 5.841660 2.110224 -0.391346
N -0.642451 -0.304643 0.183661
N 0.442470 -1.126309 0.328708
N 5.696408 0.916344 -0.173645
C -2.301191 -2.180429 0.547650
C -1.864841 -0.756701 0.290543
C -2.950891 0.237124 0.117932
C -3.035103 -2.720359 -0.666885
C -4.184083 -0.139467 -0.434042
C -2.764559 1.577396 0.505332
C -5.214406 0.791163 -0.606586
C -3.789530 2.509245 0.337937
C -5.013086 2.117560 -0.218745
C 1.728941 -0.572613 0.183389
C 2.829974 -1.458451 0.318874
C 1.944375 0.803381 -0.074612
C 4.330636 0.402608 -0.051807
C 4.121257 -0.965757 0.201543
C 3.237709 1.283587 -0.190432
H -1.449536 -2.842240 0.805296
H -2.955111 -2.204415 1.451588
H -2.408725 -2.672534 -1.579311
H -3.332768 -3.779376 -0.530779
H -1.809622 1.887255 0.935161
H -6.169552 0.491646 -1.041138
H -3.636184 3.544627 0.639673
H -5.810595 2.848523 -0.350536
H 0.342250 -2.135636 0.475778
H 2.674282 -2.516437 0.514811
H 1.089853 1.475567 -0.183989
H 4.986735 -1.631802 0.303852
H 3.427574 2.345326 -0.390257


%chk=000289118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289118

0 1
S -4.770067 -1.884538 0.673727
O 6.740055 0.103240 0.407146
O 5.935524 2.241722 0.349053
N -0.618679 -0.245602 -0.000578
N 0.473270 -1.081257 0.080201
N 5.765493 0.956778 0.349520
C -2.066425 -2.286895 -0.021795
C -1.836865 -0.776329 -0.057905
C -2.963901 0.186672 -0.123480
C -3.482217 -2.728142 -0.412723
C -4.306794 -0.171252 0.206970
C -2.708978 1.545674 -0.478611
C -5.334157 0.801867 0.212848
C -3.728379 2.512184 -0.471801
C -5.049084 2.142696 -0.114745
C 1.767214 -0.552478 0.146313
C 2.871271 -1.453128 0.211664
C 1.996911 0.854015 0.151961
C 4.393691 0.438286 0.280748
C 4.181564 -0.961434 0.278747
C 3.307661 1.345265 0.218925
H -1.358817 -2.783138 -0.724394
H -1.833830 -2.668588 0.995272
H -3.711887 -2.475400 -1.461154
H -3.619275 -3.810489 -0.260233
H -1.683828 1.817036 -0.746046
H -6.356968 0.499949 0.461880
H -3.501203 3.547383 -0.747174
H -5.852449 2.887027 -0.109662
H 0.370178 -2.103124 0.111860
H 2.696896 -2.536047 0.207931
H 1.139378 1.528033 0.109478
H 5.043353 -1.631794 0.328546
H 3.512842 2.419004 0.226514


