%chk=000206258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206258

0 1
S -0.999017 2.330722 -0.238113
S 1.007291 2.333728 0.164290
O -1.433147 -0.624262 1.110102
O 1.432569 -0.660984 -1.092436
N -2.514560 -0.435884 0.513821
N 2.514344 -0.458528 -0.501440
C -2.566617 0.279430 -0.692121
C 2.568346 0.292703 0.682358
C -1.298693 0.836136 -1.225560
C 1.302085 0.869721 1.197929
C -3.796373 0.463293 -1.333031
C 3.798442 0.491508 1.318167
C -3.688916 -0.949590 1.049194
C 3.687149 -0.992281 -1.020392
C -4.974492 -0.057500 -0.793674
C 4.974956 -0.049488 0.795491
C -4.911572 -0.766430 0.407548
C 4.910113 -0.794143 -0.383835
H -0.445855 0.106444 -1.117974
H -1.347256 1.081400 -2.302366
H 0.447028 0.139685 1.112856
H 1.351228 1.148203 2.266575
H -3.823619 1.026523 -2.268943
H 3.827193 1.082650 2.236658
H -3.598850 -1.498729 1.992082
H 3.595575 -1.569288 -1.946341
H -5.925260 0.090231 -1.301557
H 5.926008 0.110131 1.299228
H -5.814695 -1.183725 0.856495
H 5.811994 -1.227978 -0.819408


%chk=000206258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206258

0 1
S -1.123865 2.583162 -0.121928
S 1.132806 2.582516 0.045468
O -1.364049 -0.602844 1.066099
O 1.359109 -0.641141 -1.041496
N -2.537970 -0.450135 0.450013
N 2.535354 -0.472205 -0.434156
C -2.648774 0.337534 -0.714562
C 2.651625 0.351789 0.704424
C -1.412674 1.008666 -1.206245
C 1.418414 1.041240 1.177573
C -3.909547 0.463046 -1.333761
C 3.914405 0.493338 1.315975
C -3.666010 -1.084306 0.963021
C 3.660216 -1.125351 -0.930030
C -5.056309 -0.180290 -0.823755
C 5.057947 -0.169079 0.823477
C -4.914876 -0.963479 0.347358
C 4.911120 -0.988571 -0.321869
H -0.506429 0.389186 -1.077470
H -1.518773 1.338918 -2.249353
H 0.510410 0.420410 1.069269
H 1.527213 1.403251 2.209798
H -3.969513 1.082657 -2.233966
H 3.978555 1.141031 2.195896
H -3.475035 -1.667945 1.864437
H 3.465115 -1.736630 -1.812035
H -6.025303 -0.076416 -1.318731
H 6.028612 -0.052291 1.312272
H -5.767754 -1.485618 0.790718
H 5.761378 -1.526743 -0.750841


