%chk=000218155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218155

0 1
S 2.525681 0.257047 -1.665173
S 2.258974 -1.324363 -0.375938
O 0.624129 -1.528521 -0.581719
O 2.931040 -2.463527 -0.886409
O 2.382477 -0.877322 0.986617
N 0.316468 2.629539 -0.827424
N 0.947322 1.596607 1.297663
C -2.065160 0.570808 -0.308990
C -2.419167 0.712545 1.185447
C -3.020621 -0.392431 -1.046887
C -2.787212 -0.587725 1.912381
C -2.504902 -1.837372 -1.049576
C -2.002943 -1.831688 1.475557
C -2.658061 -2.559532 0.293698
C -2.076587 1.947861 -1.006673
C -1.065689 2.967470 -0.452565
C 1.136717 1.982979 -0.058492
C 2.524601 1.724388 -0.594188
H -1.027243 0.158629 -0.395557
H -3.263882 1.422370 1.296834
H -1.564690 1.192535 1.711492
H -3.145680 -0.066400 -2.098774
H -4.031260 -0.346485 -0.601943
H -3.871837 -0.781674 1.781105
H -2.649291 -0.433363 3.001418
H -1.440309 -1.851176 -1.371457
H -3.047394 -2.413061 -1.826345
H -0.951298 -1.557254 1.227068
H -1.927787 -2.531561 2.332334
H -3.734435 -2.713365 0.509114
H -2.226601 -3.576829 0.205015
H -3.089688 2.389661 -0.955770
H -1.864106 1.800200 -2.087927
H -1.260223 3.959403 -0.932915
H -1.214973 3.124765 0.636270
H 2.851684 2.571826 -1.247677
H 3.285510 1.645180 0.210073
H -0.016100 1.432631 1.592930
H 1.584125 0.896745 1.682555
H 0.054812 -1.661040 0.233427


%chk=000218155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218155

0 1
S 1.950821 -0.207559 -1.742279
S 3.066168 -1.372147 0.168706
O 1.575292 -2.390352 0.636150
O 4.292680 -2.395568 -0.085773
O 3.277552 -0.231035 1.321002
N 0.107818 2.652259 -0.958830
N 1.095274 1.669425 1.046425
C -2.301102 0.729531 -0.280234
C -2.545734 0.675044 1.255838
C -3.298092 -0.153799 -1.088169
C -2.897377 -0.712233 1.860728
C -2.813123 -1.616356 -1.269278
C -2.155793 -1.933103 1.253564
C -2.859283 -2.505991 -0.003784
C -2.321586 2.196624 -0.793577
C -1.140262 3.083485 -0.300020
C 1.053721 2.013641 -0.294315
C 2.244352 1.540673 -1.095409
H -1.288473 0.324304 -0.486799
H -3.361232 1.384136 1.512748
H -1.641153 1.056410 1.774533
H -3.424040 0.289024 -2.096961
H -4.303024 -0.138192 -0.617128
H -3.987010 -0.891378 1.758247
H -2.703064 -0.664069 2.951215
H -1.772764 -1.586608 -1.654614
H -3.423357 -2.104628 -2.056603
H -1.100229 -1.682970 1.022562
H -2.121833 -2.736112 2.017491
H -3.919825 -2.706065 0.259434
H -2.409757 -3.488038 -0.255483
H -3.273505 2.685288 -0.498538
H -2.280324 2.196901 -1.899741
H -1.336951 4.121615 -0.629237
H -1.113326 3.098563 0.813933
H 2.353983 2.163651 -1.999210
H 3.187738 1.545659 -0.521001
H 0.308096 1.867196 1.662181
H 1.862761 1.075747 1.393806
H 1.912367 -3.204474 1.117016


