%chk=000250568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250568

0 1
S -1.559394 -1.827494 0.468040
S 3.357731 -0.186826 0.921282
O -1.893131 -3.035928 1.195802
O -0.510527 -1.898194 -0.538778
O 3.887315 -1.423370 1.453127
O 3.987126 1.067465 1.276675
N -1.094786 -0.676622 1.689497
N 1.723564 -0.157823 1.499470
C -0.189328 -1.226597 2.736999
C 1.255283 -1.373634 2.227048
C -0.604289 0.596308 1.208492
C 0.795647 0.857448 1.164209
C -1.525789 1.592005 0.864810
C 1.229394 2.141766 0.781512
C -1.077020 2.851047 0.446747
C -2.977914 -1.133931 -0.227408
C 3.219857 -0.257675 -0.795120
C 0.302481 3.114679 0.416453
C -2.052339 3.917051 0.064703
C -2.888931 -0.411341 -1.422285
C -4.216054 -1.312169 0.398438
C 4.087968 0.529576 -1.566295
C 2.292077 -1.091831 -1.424306
C -4.040587 0.142268 -1.988451
C -5.368307 -0.758089 -0.167421
C 4.037223 0.472111 -2.959120
C 2.239981 -1.149056 -2.823000
C -5.278850 -0.031209 -1.359590
C 3.112229 -0.372671 -3.588105
H -0.582831 -2.209821 3.089834
H -0.226823 -0.537647 3.613992
H 1.946370 -1.562679 3.084481
H 1.341218 -2.261361 1.554141
H -2.593745 1.385081 0.936214
H 2.294825 2.399235 0.795938
H 0.657936 4.100111 0.115603
H -1.743055 4.445027 -0.847417
H -3.059982 3.522353 -0.116513
H -2.138979 4.669449 0.863078
H -1.918995 -0.282393 -1.916722
H -4.287478 -1.890948 1.326126
H 4.805125 1.197781 -1.075421
H 1.578123 -1.699852 -0.845565
H -3.973611 0.704884 -2.918563
H -6.333598 -0.896315 0.318002
H 4.713703 1.081170 -3.555867
H 1.511322 -1.801821 -3.303910
H -6.178246 0.399760 -1.802085
H 3.074293 -0.420183 -4.676868


%chk=000250568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250568

0 1
S -1.717617 -1.688150 0.345342
S 3.523502 -0.349505 1.119812
O -1.759584 -3.179797 1.051119
O -0.717433 -1.430995 -0.952918
O 3.852492 -1.859286 1.609968
O 4.446830 0.883773 1.632890
N -1.157688 -0.150393 1.997622
N 1.714878 -0.112570 1.721592
C -0.283590 -1.034511 2.816033
C 1.081885 -1.372669 2.169270
C -0.491043 0.888759 1.363134
C 0.961757 0.958962 1.260599
C -1.277066 1.965357 0.836554
C 1.547142 2.147364 0.732800
C -0.697648 3.102649 0.264070
C -3.464032 -1.304594 -0.260750
C 3.407587 -0.225590 -0.778423
C 0.733601 3.175621 0.240563
C -1.534308 4.244049 -0.282718
C -3.609931 -0.406870 -1.332624
C -4.542513 -1.930564 0.386768
C 4.481636 0.428091 -1.407404
C 2.321186 -0.805642 -1.451386
C -4.922382 -0.122035 -1.776460
C -5.846657 -1.632610 -0.072252
C 4.465650 0.488774 -2.819769
C 2.327425 -0.721173 -2.864632
C -6.034309 -0.729135 -1.145549
C 3.394072 -0.087165 -3.543153
H -0.820410 -1.982561 3.000507
H -0.142118 -0.518828 3.786697
H 1.740538 -1.866912 2.902232
H 0.934288 -2.073497 1.325465
H -2.364830 1.872743 0.935463
H 2.635096 2.263279 0.727392
H 1.212695 4.073713 -0.168651
H -1.310002 4.430119 -1.350108
H -2.613198 4.031010 -0.196742
H -1.332741 5.187224 0.259624
H -2.726458 0.025445 -1.813682
H -4.363419 -2.641645 1.199605
H 5.288094 0.876507 -0.818894
H 1.464428 -1.270504 -0.948811
H -5.073059 0.566717 -2.614508
H -6.710131 -2.108389 0.404404
H 5.287298 0.984232 -3.347185
H 1.486357 -1.150091 -3.418063
H -7.047747 -0.504664 -1.495670
H 3.387678 -0.034948 -4.637271


