%chk=000250057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250057

0 1
S 1.417441 1.041745 -0.005247
O -4.327263 0.363921 -0.005439
N -2.142355 -0.565239 -0.000431
N -0.850745 -0.386331 -0.000500
C -6.352597 -0.803826 -0.000642
C -4.843392 -1.023629 0.000229
C 3.531914 -0.511019 0.002235
C 2.048876 -0.669880 0.002131
C -7.089141 -2.137741 0.006645
C 4.233693 -0.431531 1.216277
C 4.234933 -0.441515 -1.211702
C -2.984467 0.523636 -0.005367
C -0.320239 0.862539 -0.005392
C 5.623374 -0.288047 1.212702
C 5.624610 -0.298000 -1.207889
C -2.498837 1.862002 -0.010643
C -1.126501 2.029225 -0.010626
C 6.321232 -0.221848 0.002470
H -6.643511 -0.192247 0.878311
H -6.643934 -0.201661 -0.885913
H -4.467286 -1.526493 0.906415
H -4.467270 -1.533733 -0.901888
H 1.669252 -1.226373 -0.878991
H 1.668347 -1.219092 0.887422
H -6.846235 -2.734208 0.894615
H -8.175679 -1.985148 0.005648
H -6.845990 -2.744010 -0.874594
H 3.695286 -0.478032 2.161800
H 3.697490 -0.495792 -2.157360
H 6.163652 -0.226817 2.156119
H 6.165851 -0.244528 -2.151226
H -3.198473 2.695200 -0.014442
H -0.674727 3.022622 -0.014493
H 7.403591 -0.110550 0.002565


%chk=000250057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250057

0 1
S 1.433608 1.363905 -0.083266
O -4.409609 0.456407 0.011949
N -2.206639 -0.397887 -0.038398
N -0.839252 -0.180738 -0.062210
C -6.401412 -0.921520 0.048828
C -4.873507 -0.963236 0.011469
C 3.554828 -0.466450 -0.046077
C 2.048086 -0.458084 -0.113094
C -6.997919 -2.346792 0.053689
C 4.221422 -0.482343 1.206990
C 4.331655 -0.463847 -1.233820
C -3.046529 0.673283 -0.012875
C -0.369378 1.097968 -0.058410
C 5.632076 -0.499853 1.271873
C 5.742814 -0.481137 -1.171841
C -2.600603 2.029624 -0.010153
C -1.224832 2.244824 -0.033371
C 6.397234 -0.499199 0.081942
H -6.726861 -0.368481 0.949821
H -6.770330 -0.356179 -0.827408
H -4.443673 -1.477410 0.891222
H -4.486786 -1.462659 -0.896363
H 1.651050 -0.900782 -1.038878
H 1.568017 -0.952276 0.744675
H -6.658481 -2.922300 0.935123
H -8.101185 -2.308932 0.080995
H -6.702300 -2.910286 -0.850991
H 3.630088 -0.481449 2.130522
H 3.826311 -0.449376 -2.207061
H 6.133580 -0.516078 2.245990
H 6.329843 -0.482532 -2.097076
H -3.326117 2.846341 0.009876
H -0.806105 3.255442 -0.032298
H 7.491805 -0.514366 0.131425


