%chk=000253938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253938

0 1
S -0.617457 -0.900200 -2.036744
O 2.716732 -2.627807 1.469333
O 0.478430 -1.797872 -1.094992
O 1.286956 0.531603 0.335863
O 0.640637 -1.602733 1.786711
O -0.982147 -1.767308 -3.126155
O 0.064596 0.341974 -2.341996
O 2.888341 1.850527 -0.561349
N 4.049401 -2.714477 -1.237675
C 1.851940 -1.423784 -1.035993
C 2.175662 -0.607295 0.235616
C 2.593878 -2.799610 -0.990511
C 2.028768 -1.383621 1.562149
C 2.322183 -3.478012 0.365182
C -1.917424 -0.698268 -0.952597
C 1.759412 1.749160 -0.151171
C 0.337729 -2.230298 3.052390
C 0.689664 2.769089 -0.014668
C -3.231532 -0.902639 -1.404634
C -1.689296 -0.337819 0.380427
C -4.306390 -0.721746 -0.541398
C -2.766531 -0.155633 1.251342
C -4.080194 -0.341053 0.797479
C -0.148261 3.028346 -1.106429
C 0.555717 3.482781 1.184242
C -5.240697 -0.148169 1.714577
C -1.125495 4.022096 -0.995720
C -0.424416 4.473053 1.283447
C -1.262141 4.743072 0.194461
H 2.126071 -0.825924 -1.937662
H 3.233571 -0.236418 0.159071
H 2.149471 -3.441965 -1.803697
H 2.514008 -0.890229 2.429320
H 2.953746 -4.370419 0.527775
H 1.246319 -3.714645 0.471172
H 4.263373 -2.147691 -2.052138
H 4.541931 -2.323484 -0.438733
H -0.729712 -2.460021 2.954811
H 0.926390 -3.146049 3.174388
H 0.520156 -1.526725 3.868806
H -3.412483 -1.213049 -2.440407
H -0.656675 -0.211479 0.757476
H -5.323077 -0.877822 -0.896532
H -2.576463 0.131106 2.283837
H -0.038762 2.445257 -2.032700
H 1.210742 3.270056 2.028122
H -5.948172 0.595248 1.316931
H -4.945997 0.194359 2.715641
H -5.803059 -1.085182 1.847913
H -1.778823 4.232636 -1.841543
H -0.534548 5.036868 2.208173
H -2.022873 5.518915 0.275589


%chk=000253938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253938

0 1
S -0.875854 -0.999488 -2.029647
O 2.976003 -2.520826 1.455949
O 0.340890 -1.944713 -0.906495
O 1.287691 0.611504 0.303425
O 0.820365 -1.565917 2.011646
O -1.366091 -1.942396 -3.251421
O -0.180414 0.421528 -2.401787
O 2.792872 1.720158 -1.096613
N 4.024257 -2.584999 -1.279190
C 1.734825 -1.493581 -0.987364
C 2.143991 -0.586101 0.197179
C 2.612953 -2.806908 -0.982094
C 2.169569 -1.295386 1.561750
C 2.465880 -3.450663 0.405503
C -2.280520 -0.864717 -0.785171
C 1.726009 1.732581 -0.436362
C 0.779115 -2.075717 3.393453
C 0.807404 2.892839 -0.298293
C -3.585385 -0.945836 -1.304243
C -1.987896 -0.703463 0.577031
C -4.657605 -0.828707 -0.395580
C -3.086828 -0.593469 1.461156
C -4.426384 -0.646178 0.995244
C 1.142773 4.086408 -0.988903
C -0.371433 2.838003 0.488958
C -5.594423 -0.528772 1.957212
C 0.307660 5.217142 -0.890785
C -1.203240 3.972615 0.585457
C -0.867013 5.162821 -0.102740
H 1.901139 -0.933933 -1.928787
H 3.178516 -0.252025 -0.015334
H 2.167099 -3.480373 -1.737468
H 2.713931 -0.689492 2.314210
H 3.099815 -4.344699 0.498286
H 1.405553 -3.688855 0.604441
H 4.255166 -2.196892 -2.194577
H 4.589597 -2.232858 -0.504188
H -0.282213 -2.272870 3.608667
H 1.365039 -3.007911 3.485768
H 1.174585 -1.319445 4.101844
H -3.756641 -1.108384 -2.372752
H -0.955935 -0.710053 0.946704
H -5.685653 -0.884052 -0.771973
H -2.892981 -0.473855 2.533435
H 2.053132 4.102567 -1.596910
H -0.626038 1.912403 1.011322
H -6.257829 0.311351 1.679879
H -5.253806 -0.363101 2.993048
H -6.212670 -1.445917 1.947719
H 0.566705 6.136156 -1.427370
H -2.114984 3.929529 1.191226
H -1.517500 6.041644 -0.027665


