%chk=000262771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262771

0 1
S 0.579799 0.224398 1.475493
O 4.921517 -0.231782 0.279784
C -0.579579 0.088042 0.032113
C -1.913253 0.056198 0.759132
C -0.426879 1.326075 -0.828390
C -0.261708 -1.197103 -0.698434
C 2.216251 -0.338771 0.897076
C -2.878982 -0.919806 0.471498
C 0.837749 1.738620 -1.280751
C -0.079870 -1.223978 -2.088080
C -2.196282 1.034274 1.730279
C -1.555164 2.067079 -1.216377
C -0.158897 -2.400392 0.025878
C 3.218386 0.160940 1.922508
C -4.092737 -0.938750 1.164964
C 0.973385 2.880316 -2.072866
C 0.225461 -2.424240 -2.739548
C -3.407833 1.006416 2.424786
C -1.417905 3.209071 -2.010960
C 0.144983 -3.594924 -0.627041
C -4.357890 0.018166 2.147909
C -0.153884 3.622968 -2.438039
C 0.343082 -3.610315 -2.012751
C 4.645723 -0.024900 1.439088
C 5.700070 0.081180 2.504381
H 2.439432 0.067248 -0.117394
H 2.233629 -1.440998 0.804813
H -2.694620 -1.670495 -0.298197
H 1.735134 1.165313 -1.022490
H -0.177400 -0.311479 -2.678588
H -1.481993 1.833169 1.942200
H -2.553757 1.758741 -0.902988
H -0.325424 -2.404225 1.105717
H 3.069603 -0.345054 2.899602
H 3.063799 1.244939 2.134196
H -4.832630 -1.703896 0.935664
H 1.962134 3.190768 -2.407755
H 0.371205 -2.428711 -3.818794
H -3.612537 1.760292 3.183353
H -2.302559 3.775728 -2.297215
H 0.226975 -4.518679 -0.056465
H -5.299719 -0.002356 2.692123
H -0.046835 4.514127 -3.052639
H 0.585019 -4.542398 -2.519493
H 5.703580 -0.807185 3.150699
H 5.562766 0.955466 3.151345
H 6.704657 0.153202 2.059251


%chk=000262771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262771

0 1
S 0.732674 0.190134 1.657347
O 5.067446 -0.190830 -0.099580
C -0.562964 0.087418 0.183009
C -1.949003 0.135134 0.875885
C -0.484938 1.324578 -0.747473
C -0.261897 -1.243881 -0.527266
C 2.363843 -0.118893 0.746201
C -3.029293 -0.669927 0.432061
C 0.329350 2.450254 -0.482783
C 0.362390 -1.298147 -1.798633
C -2.197112 1.090813 1.896461
C -1.333222 1.361234 -1.889371
C -0.513314 -2.470659 0.148619
C 3.500604 0.005555 1.769543
C -4.313341 -0.539543 1.007743
C 0.314545 3.575765 -1.339485
C 0.699732 -2.538136 -2.390855
C -3.476119 1.215848 2.478247
C -1.350162 2.481684 -2.744616
C -0.181536 -3.706784 -0.440227
C -4.543536 0.399871 2.037036
C -0.521706 3.597206 -2.476233
C 0.424934 -3.748499 -1.719715
C 4.892300 -0.164227 1.146801
C 6.052970 -0.306681 2.125966
H 2.476155 0.621069 -0.061639
H 2.336421 -1.124789 0.299729
H -2.870746 -1.405613 -0.362868
H 0.959717 2.449806 0.413150
H 0.594720 -0.371681 -2.332421
H -1.383969 1.743090 2.234071
H -1.991976 0.512231 -2.103826
H -0.951913 -2.446424 1.151813
H 3.383352 -0.731268 2.590085
H 3.476483 1.001823 2.261117
H -5.132617 -1.173115 0.649133
H 0.955834 4.435238 -1.113069
H 1.185963 -2.551597 -3.372721
H -3.641112 1.954656 3.270679
H -2.013637 2.487208 -3.616934
H -0.387176 -4.637621 0.100540
H -5.538605 0.498389 2.485157
H -0.534842 4.469193 -3.139635
H 0.687494 -4.708793 -2.177470
H 6.096646 -1.353035 2.487557
H 5.921010 0.339337 3.012260
H 7.006154 -0.075090 1.625205


