%chk=000256157.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256157

0 1
S -5.434178 0.293099 -0.461341
N 0.387856 0.925423 -0.196481
N -0.780359 -1.690632 -0.182592
N -2.955286 -0.720248 -0.310762
N -3.230490 1.711207 -0.386243
N 1.344499 -2.625544 0.044097
N -1.402915 3.176946 -0.336992
C 1.155780 -0.149304 -0.121589
C 2.624943 0.023183 -0.059797
C -0.976057 0.749098 -0.252592
C -1.583436 -0.565565 -0.245351
C 0.559949 -1.499136 -0.103767
C -1.870648 1.891702 -0.324438
C 3.319282 0.516109 -1.174151
C 3.317601 -0.309538 1.114807
C 4.707941 0.663901 -1.114066
C 4.705121 -0.156962 1.165913
C -3.684347 0.416891 -0.376827
C 5.401385 0.326067 0.052435
C -5.738013 -1.480800 -0.426516
H 2.774242 0.790846 -2.076878
H 2.771845 -0.672339 1.985607
H 5.249499 1.047559 -1.977902
H 5.244909 -0.409554 2.077793
H 6.483006 0.444100 0.096408
H 0.912722 -3.536945 -0.045534
H 2.338101 -2.572600 -0.113171
H -2.043581 3.955904 -0.375326
H -0.412960 3.365543 -0.276912
H -5.343781 -1.946687 0.488538
H -5.258655 -1.995946 -1.271760
H -6.821272 -1.640979 -0.474311


%chk=000256157-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256157

0 1
S -5.492893 0.359879 -0.483849
N 0.379466 0.864661 -0.349466
N -0.837630 -1.703564 -0.060915
N -2.988862 -0.709471 -0.239596
N -3.196617 1.709366 -0.640526
N 1.255706 -2.697440 0.033405
N -1.288048 3.081786 -0.789129
C 1.151534 -0.222068 -0.131568
C 2.622731 -0.021618 -0.029875
C -0.981441 0.701340 -0.407347
C -1.613695 -0.580398 -0.226564
C 0.510775 -1.540479 -0.038444
C -1.846525 1.847618 -0.618068
C 3.260418 0.914220 -0.889738
C 3.411202 -0.703600 0.939985
C 4.648605 1.144677 -0.800568
C 4.800226 -0.465449 1.032099
C -3.679365 0.433327 -0.446058
C 5.426676 0.451651 0.157391
C -5.764042 -1.476306 -0.186259
H 2.650472 1.451209 -1.623283
H 2.932752 -1.376810 1.660755
H 5.125327 1.862828 -1.476896
H 5.389824 -0.986578 1.794522
H 6.505157 0.630846 0.226495
H 0.745359 -3.579650 0.040602
H 2.269213 -2.687355 -0.045707
H -1.890348 3.890669 -0.923583
H -0.273090 3.165883 -0.740681
H -5.337665 -1.760180 0.785537
H -5.276309 -2.055350 -0.982194
H -6.856213 -1.618845 -0.200179


