%chk=000210952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210952

0 1
S -2.027513 -2.190962 -1.107746
S -4.188615 -1.847626 1.564914
P 1.800669 0.302271 0.681207
P -3.253644 -1.030761 0.123245
O 3.299666 0.983719 0.561167
O 0.879423 1.650745 0.493360
O 1.428350 -0.425987 1.908333
O -4.130168 -0.374136 -1.117424
O -2.287035 0.273209 0.455218
N 1.720486 -0.644477 -0.772759
C 0.609136 -1.625698 -0.836332
C -0.645690 -1.057756 -1.504826
C 4.373924 0.279259 1.243625
C 1.292476 2.659631 -0.468094
C 4.937007 -0.814678 0.334935
C -0.009179 3.375290 -0.833253
C 6.267172 -1.328827 0.874154
C -0.917449 2.515234 -1.703221
C -5.271558 0.434229 -0.741682
C -1.727515 0.385893 1.788711
H 0.975723 -2.514929 -1.405937
H 0.384163 -2.011025 0.193542
H 1.948820 -0.224438 -1.682654
H -0.852372 -0.001069 -1.186388
H -0.556056 -1.028416 -2.606633
H 4.034646 -0.107825 2.223913
H 5.101215 1.100095 1.407611
H 1.786461 2.211039 -1.345767
H 2.001773 3.329205 0.057874
H 5.062789 -0.414290 -0.691616
H 4.220210 -1.656341 0.235925
H 0.223886 4.333090 -1.337491
H -0.542857 3.638739 0.106532
H 6.668413 -2.124152 0.233622
H 6.162010 -1.749578 1.881904
H 7.024613 -0.537719 0.921501
H -1.880918 3.006748 -1.882353
H -1.144333 1.554497 -1.196154
H -0.472956 2.293016 -2.677209
H -5.699437 0.693327 -1.721694
H -4.952895 1.342264 -0.216978
H -6.001939 -0.141202 -0.157485
H -1.129279 1.310610 1.694968
H -1.063850 -0.458565 2.026080
H -2.512271 0.508849 2.542555


%chk=000210952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210952

0 1
S -2.774537 -2.160056 -2.045586
S -5.057294 -1.994934 0.882716
P 1.865186 -0.350436 -0.154433
P -3.543186 -1.090195 -0.185451
O 3.522123 -0.284795 -0.671207
O 1.393315 1.320410 -0.056257
O 1.480710 -1.058863 1.215990
O -3.831766 0.460054 -0.918642
O -2.105046 -0.652083 0.701929
N 1.250381 -1.085608 -1.583226
C 0.022412 -1.902872 -1.575622
C -1.150463 -1.181201 -2.268202
C 4.514608 0.402626 0.206130
C 1.350204 2.170599 -1.277388
C 4.941502 -0.476407 1.390087
C 0.488761 3.388657 -0.926619
C 6.020237 0.227479 2.243751
C -0.978048 3.018844 -0.626098
C -4.381818 1.526914 -0.046347
C -1.713732 -1.429754 1.907351
H 0.219061 -2.876408 -2.062296
H -0.247041 -2.114271 -0.527076
H 1.879584 -1.133942 -2.386268
H -1.304208 -0.175404 -1.848143
H -1.018952 -1.101018 -3.361010
H 4.092082 1.366557 0.555616
H 5.361194 0.605220 -0.472682
H 0.906274 1.592746 -2.113738
H 2.383447 2.464977 -1.546924
H 5.329019 -1.436097 1.000150
H 4.055339 -0.712155 2.008183
H 0.543758 4.098710 -1.776962
H 0.940751 3.895872 -0.053365
H 6.322423 -0.411721 3.091910
H 5.644809 1.180787 2.661141
H 6.927467 0.449683 1.650449
H -1.550049 3.910298 -0.310435
H -1.026353 2.265322 0.178779
H -1.477896 2.593657 -1.517377
H -4.588425 2.363100 -0.730433
H -3.639606 1.825627 0.714208
H -5.316347 1.187461 0.436853
H -0.653380 -1.172608 2.058451
H -1.818834 -2.516983 1.737330
H -2.342163 -1.127287 2.761959


