%chk=000286360.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286360

0 1
S 1.461613 -1.489289 -1.120695
S 1.326188 2.802656 -1.281609
O 2.438982 -0.840726 -0.265459
O 1.312523 -1.142029 -2.512438
O 0.307232 3.844294 -1.209855
O 2.017273 2.619742 -2.528114
N -0.102961 -1.400670 -0.385526
N 0.551435 1.306514 -0.871205
C -3.236061 0.275596 0.277820
C -4.343891 2.337023 -0.241875
C -3.033527 1.598223 -0.322574
C -5.334540 1.381449 0.494379
C -4.549204 0.124452 0.768404
C -2.267650 -0.720856 0.361881
C -1.828760 1.950760 -0.791334
C -0.937759 -0.440776 -0.250010
C -4.903732 -1.069993 1.383693
C -0.686449 1.025952 -0.682367
C -2.635953 -1.926615 0.985039
C -3.932894 -2.084136 1.486767
C 1.723907 -3.202578 -1.007068
C 2.422036 3.005506 0.031730
C 1.366740 -4.030171 -2.075350
C 2.298571 -3.747173 0.144610
C 3.302033 1.984801 0.399394
C 2.434618 4.227779 0.719342
C 1.580665 -5.409669 -1.990283
C 2.512818 -5.126342 0.231699
C 4.203892 2.189426 1.452504
C 3.333200 4.431461 1.766234
C 2.152013 -5.955848 -0.835948
C 4.221141 3.408980 2.130815
H -4.714503 2.598258 -1.250923
H -4.229378 3.293635 0.301282
H -5.704305 1.836932 1.430571
H -6.223332 1.173066 -0.127859
H -1.621177 2.939587 -1.229848
H -5.904908 -1.227220 1.777865
H -1.905830 -2.734510 1.068322
H -4.203246 -3.023989 1.970220
H 0.929160 -3.599354 -2.983293
H 2.590790 -3.095696 0.974641
H 3.285685 1.007941 -0.117227
H 1.734643 5.022603 0.436425
H 1.305132 -6.055174 -2.822492
H 2.961915 -5.552222 1.126971
H 4.886516 1.389759 1.736482
H 3.346462 5.380266 2.298352
H 2.319197 -7.031266 -0.768967
H 4.924780 3.569541 2.947977


%chk=000286360-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286360

0 1
S 1.605552 -1.489577 -1.009813
S 1.295454 2.856708 -1.350016
O 2.799085 -0.946752 -0.035319
O 1.484037 -1.051213 -2.573320
O 0.210033 4.088806 -1.334838
O 2.088729 2.542963 -2.724439
N -0.160049 -1.559384 -0.103457
N 0.625208 1.117739 -0.730963
C -3.288389 0.248916 0.335342
C -4.330405 2.335632 -0.265175
C -3.028594 1.542117 -0.269764
C -5.383460 1.417097 0.459709
C -4.627807 0.127587 0.766895
C -2.331608 -0.778768 0.476873
C -1.771062 1.882549 -0.700375
C -0.966801 -0.521359 -0.071650
C -5.036152 -1.075795 1.376864
C -0.669688 0.923980 -0.552122
C -2.747302 -1.989683 1.085347
C -4.085608 -2.123104 1.530130
C 1.778139 -3.373166 -1.001698
C 2.485035 3.153224 0.089056
C 1.370972 -4.071838 -2.148479
C 2.341888 -3.984940 0.128791
C 3.321598 2.106436 0.510334
C 2.483938 4.445981 0.640809
C 1.533647 -5.477165 -2.153217
C 2.495879 -5.390750 0.105481
C 4.227094 2.396448 1.559239
C 3.402701 4.708564 1.682728
C 2.088484 -6.132343 -1.028931
C 4.272073 3.687815 2.136011
H -4.644215 2.568867 -1.299535
H -4.205980 3.305629 0.248892
H -5.757727 1.889959 1.386841
H -6.266316 1.228831 -0.178459
H -1.534117 2.867856 -1.112992
H -6.064059 -1.213954 1.729781
H -2.031907 -2.808432 1.204032
H -4.396090 -3.060370 2.004546
H 0.966595 -3.532027 -3.010672
H 2.669135 -3.381892 0.981219
H 3.253463 1.098386 0.082045
H 1.789834 5.207400 0.270947
H 1.231298 -6.053715 -3.033687
H 2.935880 -5.901550 0.968455
H 4.890854 1.604784 1.921763
H 3.436788 5.705383 2.134773
H 2.213446 -7.220664 -1.040659
H 4.981595 3.898685 2.943778


