%chk=000185189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185189

0 1
S 3.367330 2.174724 0.638055
S 5.392649 1.657221 0.967723
O -0.676640 -0.981698 0.705101
O 1.392734 -2.326508 -1.081676
N 0.491496 0.589870 -0.493005
N 3.449911 -1.615372 -0.281255
C -4.482957 0.815249 -0.302548
C -5.745216 0.266487 0.399786
C -3.205064 0.147537 0.214074
C -1.957320 0.717594 -0.476214
C -6.040435 -1.175651 -0.028835
C -6.947620 1.171226 0.096969
C -0.716317 -0.006022 -0.005244
C 1.755803 0.020735 -0.288121
C 2.902294 0.605820 0.136256
C 4.009660 -0.394103 0.161659
C 2.054785 -1.449213 -0.603992
C 5.241743 -0.024020 0.543216
H -4.423962 1.909561 -0.147015
H -4.574832 0.671526 -1.395780
H -5.569409 0.276734 1.504816
H -3.249316 -0.950804 0.052249
H -3.116992 0.275126 1.311843
H -2.052731 0.605973 -1.578569
H -1.886321 1.807000 -0.284486
H -6.233510 -1.248888 -1.104306
H -5.200085 -1.841778 0.198447
H -6.920375 -1.572211 0.488844
H -6.781892 2.194281 0.449378
H -7.158136 1.220163 -0.976692
H -7.854243 0.800006 0.587680
H 0.484882 1.527513 -0.895517
H 3.955791 -2.486823 -0.340001
H 6.123895 -0.648954 0.609659


%chk=000185189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185189

0 1
S 2.845394 1.563799 1.866239
S 5.026299 0.932263 2.372692
O -0.602976 -1.264616 0.154804
O 1.798654 -1.486831 -2.343954
N 0.487436 0.657895 -0.584519
N 3.642658 -1.227230 -0.848398
C -4.509489 0.668256 -0.465153
C -5.719739 0.474798 0.488319
C -3.157779 0.194925 0.112207
C -1.972336 0.539863 -0.816048
C -5.959300 -1.014656 0.834232
C -6.994443 1.099792 -0.127776
C -0.665790 -0.118280 -0.365090
C 1.786291 0.118069 -0.436588
C 2.763576 0.423658 0.487936
C 3.948809 -0.411714 0.246158
C 2.328366 -0.947331 -1.340331
C 5.058135 -0.288995 1.040699
H -4.438282 1.745460 -0.728057
H -4.712267 0.128285 -1.415207
H -5.493544 1.014885 1.433327
H -3.156761 -0.898208 0.269763
H -2.993459 0.656827 1.106955
H -2.189583 0.161806 -1.836414
H -1.853149 1.638563 -0.905394
H -6.143453 -1.602928 -0.086026
H -5.094769 -1.463310 1.354981
H -6.842721 -1.129094 1.489879
H -6.849439 2.173488 -0.352535
H -7.260229 0.588737 -1.073563
H -7.857280 1.008330 0.558021
H 0.377407 1.586687 -0.998543
H 4.251030 -1.925436 -1.272376
H 5.982336 -0.865456 0.962259


