%chk=000207004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207004

0 1
S -3.777819 2.034679 -0.776744
O -0.676160 -0.201278 0.134383
O -0.895396 1.005906 -1.802357
O 0.616425 -3.977708 0.324165
O -1.028767 -2.589761 0.506660
N 1.159415 1.966214 -0.067634
N 0.153038 -2.847598 0.357360
C 1.624714 0.659796 -0.021394
C 3.008565 0.339349 -0.030395
C 0.663588 -0.417172 0.071375
C 1.098985 -1.732264 0.214011
C 3.424183 -1.025023 0.085624
C 2.500434 -2.025277 0.215949
C 3.936463 1.425634 -0.140989
C 3.468432 2.712191 -0.210083
C 2.051414 2.944970 -0.159500
C -1.395283 0.643412 -0.780240
C -2.724849 0.773417 -0.228461
C -3.349374 -0.011122 0.711735
C -4.690549 0.423577 0.987296
C -5.061552 1.521467 0.261044
H 4.490927 -1.249532 0.073980
H 2.799369 -3.076469 0.317443
H 5.004566 1.206022 -0.167848
H 4.141932 3.563538 -0.299648
H 1.663513 3.972000 -0.195987
H -2.883936 -0.874825 1.187181
H -5.322190 -0.087894 1.703176
H -6.007587 2.039951 0.284799


%chk=000207004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207004

0 1
S -3.831691 1.640448 -1.335909
O -0.701713 -0.413769 0.267647
O -0.901698 0.562348 -1.880301
O 0.897981 -4.203622 -0.293474
O -0.747471 -3.069364 0.806414
N 0.973564 1.787955 0.158383
N 0.398045 -3.124903 0.222084
C 1.550353 0.531649 0.087659
C 2.975843 0.325558 -0.023468
C 0.670900 -0.612887 0.150483
C 1.231859 -1.902503 0.144020
C 3.499949 -1.007302 -0.049206
C 2.644504 -2.098438 0.035776
C 3.803046 1.493594 -0.095384
C 3.213444 2.757342 -0.043293
C 1.790351 2.854338 0.095249
C -1.388291 0.358591 -0.753902
C -2.706644 0.725879 -0.258053
C -3.288065 0.456221 0.980413
C -4.622354 0.967783 1.102894
C -5.060661 1.626345 -0.041696
H 4.581298 -1.159533 -0.133107
H 3.014423 -3.126375 0.009864
H 4.888652 1.379083 -0.188850
H 3.814758 3.669656 -0.098459
H 1.308204 3.836590 0.157203
H -2.758262 -0.099080 1.756273
H -5.237092 0.853153 1.998157
H -6.020735 2.107445 -0.222515


