%chk=000275978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275978

0 1
S -1.038470 0.373043 -1.259994
O -3.051794 -0.905223 -2.914363
O -3.150062 -2.050840 -0.983696
N -4.868809 0.175308 -0.169186
C 0.356715 0.082668 -0.065747
C 1.165356 1.355332 0.075639
C -0.219394 -0.401008 1.243379
C 1.129651 -0.966046 -0.847978
C -2.467641 1.011248 -0.332939
C 0.567655 2.623135 0.092182
C 2.560981 1.266003 0.229682
C 0.104865 0.226889 2.455388
C 1.491581 -2.196360 -0.280768
C -1.101735 -1.497454 1.261568
C 1.507540 -0.683941 -2.173994
C -3.680985 0.378848 -1.029516
C 1.345139 3.774944 0.237889
C 3.339048 2.413268 0.376619
C 2.737619 3.682241 0.376776
C -0.447387 -0.224485 3.658698
C 2.188111 -3.143903 -1.036970
C -1.651553 -1.944493 2.463389
C 2.197818 -1.636773 -2.926474
C -1.327374 -1.308808 3.667033
C 2.535991 -2.871080 -2.362447
C 3.566557 4.913830 0.541399
C -3.263918 -0.997445 -1.562854
H -2.498161 2.113802 -0.382847
H -2.409199 0.736499 0.738094
H -0.510442 2.737559 -0.008754
H 3.047347 0.288424 0.233547
H 0.796046 1.071213 2.474829
H 1.238653 -2.425985 0.755193
H -1.370573 -2.011057 0.329125
H 1.280445 0.285447 -2.623767
H -4.000579 1.019345 -1.903269
H 0.862810 4.750368 0.240540
H 4.417581 2.321752 0.489944
H -0.184807 0.272002 4.591408
H 2.458158 -4.098594 -0.588118
H -2.334657 -2.793843 2.459046
H 2.475869 -1.414210 -3.955533
H -1.755754 -1.660409 4.603542
H 3.071172 -3.612983 -2.951643
H 3.645435 5.191059 1.603198
H 4.589787 4.782237 0.164549
H 3.140392 5.776529 0.011749
H -5.152023 1.043845 0.273554
H -4.686605 -0.509215 0.563964
H -2.737297 -1.760684 -3.314369


%chk=000275978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275978

0 1
S -1.092404 0.190974 -1.426883
O -4.198574 -1.243968 -2.562069
O -4.190471 -1.741579 -0.293170
N -5.005322 1.088970 -0.214668
C 0.432105 -0.027103 -0.177623
C 1.198765 1.303683 -0.002681
C -0.133202 -0.571978 1.143817
C 1.339277 -1.028405 -0.932037
C -2.497704 0.857074 -0.333151
C 0.668217 2.569265 -0.339096
C 2.507246 1.262640 0.554261
C 0.053805 0.100591 2.378037
C 1.825898 -2.220051 -0.340030
C -0.904098 -1.768278 1.141859
C 1.769624 -0.702821 -2.247596
C -3.871886 0.600811 -1.015974
C 1.412496 3.753388 -0.126313
C 3.245654 2.442820 0.767451
C 2.712547 3.715766 0.431297
C -0.498662 -0.413168 3.575500
C 2.702613 -3.073576 -1.050265
C -1.459390 -2.278423 2.331818
C 2.634461 -1.557560 -2.960049
C -1.254313 -1.605337 3.560533
C 3.106406 -2.751493 -2.364060
C 3.522092 4.983121 0.644225
C -4.087666 -0.903017 -1.215934
H -2.367905 1.940515 -0.167271
H -2.461614 0.324215 0.631772
H -0.319262 2.628590 -0.806107
H 2.952551 0.295015 0.811576
H 0.631834 1.028713 2.410135
H 1.527275 -2.484634 0.678650
H -1.099150 -2.275710 0.191234
H 1.425740 0.229871 -2.709368
H -3.901754 1.085976 -2.005555
H 0.975264 4.719622 -0.406844
H 4.254299 2.376703 1.194501
H -0.339459 0.125272 4.516804
H 3.069032 -3.989136 -0.571941
H -2.066352 -3.189309 2.295201
H 2.945769 -1.290857 -3.976362
H -1.688414 -1.998497 4.486712
H 3.782385 -3.415557 -2.914401
H 3.906520 5.048203 1.679028
H 4.399413 5.016014 -0.029881
H 2.918122 5.886071 0.449544
H -5.130476 2.102540 -0.198896
H -5.106783 0.633634 0.696662
H -4.335444 -2.227598 -2.645692


