%chk=000270646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270646

0 1
S 3.820570 -0.374003 0.879878
F 4.326801 -1.048050 -0.458853
O 4.904648 0.478256 1.258228
O 3.382852 -1.484583 1.668827
N -1.189330 0.086785 -0.203500
N -3.303287 -0.389646 1.054548
N -3.295887 -0.133448 -1.378116
N -1.376488 0.484495 -2.592555
N -5.329394 -0.187928 -0.145431
C -1.839417 -0.385264 1.132702
C -1.341753 -1.817417 1.377574
C -1.423615 0.576437 2.249760
C 0.111719 0.700256 -0.177229
C -1.986241 0.127021 -1.369046
C 1.210809 -0.047085 0.279601
C 0.289700 2.036869 -0.592861
C -3.931322 -0.264420 -0.100966
C 2.474760 0.545705 0.313876
C 1.560211 2.609662 -0.553602
C 2.657036 1.867764 -0.098094
H -1.813076 -2.225297 2.284358
H -1.608502 -2.491688 0.555455
H -0.255111 -1.868831 1.517770
H -1.652926 1.619652 2.000062
H -1.999123 0.349520 3.162439
H -0.363125 0.503436 2.504301
H 1.061616 -1.083357 0.620796
H -0.568241 2.616516 -0.946490
H 1.699376 3.644122 -0.872859
H 3.649794 2.330888 -0.059051
H -1.971150 0.372623 -3.413423
H -0.427373 0.167617 -2.747100
H -5.830535 -0.548636 0.655912
H -5.768696 -0.357272 -1.040413


%chk=000270646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270646

0 1
S 3.945606 -0.160618 0.987313
F 4.436653 -1.017295 -0.590376
O 5.136793 0.862957 1.323785
O 3.501586 -1.329554 1.996378
N -1.204534 0.126109 -0.145317
N -3.313227 -0.148422 1.127354
N -3.275392 -0.247015 -1.321993
N -1.308545 0.072409 -2.530627
N -5.280907 -0.035489 -0.147616
C -1.867681 -0.426612 1.151784
C -1.635595 -1.960521 1.213044
C -1.281025 0.287933 2.383643
C 0.080765 0.739970 -0.166739
C -1.962397 -0.022072 -1.317834
C 1.225813 0.063709 0.336665
C 0.240354 2.056272 -0.692960
C -3.907494 -0.150925 -0.057337
C 2.450071 0.743604 0.303903
C 1.500116 2.688126 -0.716810
C 2.647437 2.036223 -0.204649
H -2.177040 -2.366781 2.084445
H -2.031132 -2.448632 0.304750
H -0.565285 -2.215342 1.319813
H -1.376335 1.382001 2.278561
H -1.884184 -0.021583 3.252134
H -0.227824 0.026242 2.577340
H 1.156097 -0.955396 0.726583
H -0.644380 2.579148 -1.069444
H 1.592717 3.702159 -1.118095
H 3.631587 2.512993 -0.190029
H -1.886994 -0.005903 -3.364283
H -0.295978 0.015723 -2.605009
H -5.832316 0.016784 0.703924
H -5.712029 0.010496 -1.065802


