%chk=000290029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290029

0 1
S 0.001637 1.641833 -1.148039
O 0.944833 2.705990 -0.878297
O -0.942334 1.767731 -2.237918
N 0.676166 -0.979085 0.767276
N -0.668437 -1.081356 0.620679
C 0.935024 0.159117 -1.418333
C -0.930570 1.365855 0.334418
C 1.446074 -0.442162 -0.143099
C -1.439760 -0.040430 0.443369
C 2.912527 -0.429532 0.078772
C -2.906031 -0.245234 0.353912
C 3.616514 0.780418 -0.041792
C -3.579207 -0.983009 1.338311
C 3.587541 -1.611148 0.417276
C -3.611752 0.297205 -0.733184
C 4.996658 0.797578 0.166368
C -4.962296 -1.163761 1.241938
C 4.970804 -1.583601 0.619222
C -4.991758 0.107012 -0.822046
C 5.675168 -0.382760 0.492680
C -5.668389 -0.618981 0.165426
H 1.777961 0.358647 -2.121958
H 0.339722 -0.596176 -1.985397
H -1.774425 2.093357 0.398509
H -0.335026 1.628082 1.241625
H 3.087737 1.708344 -0.286239
H -3.022377 -1.420234 2.168387
H 3.032049 -2.543213 0.530989
H -3.084471 0.856699 -1.513755
H 5.545315 1.734725 0.076605
H -5.487632 -1.734903 2.006274
H 5.497569 -2.500496 0.880389
H -5.541731 0.523863 -1.665307
H 6.752510 -0.363825 0.651801
H -6.745615 -0.762349 0.092134


%chk=000290029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290029

0 1
S 0.005173 1.758884 -1.231565
O 1.166442 2.887557 -1.028479
O -1.149688 1.976648 -2.363721
N 0.675426 -1.029883 0.787630
N -0.669749 -1.113410 0.667515
C 0.870425 -0.071903 -1.474268
C -0.866365 1.340664 0.565422
C 1.452016 -0.521164 -0.181954
C -1.446979 -0.027406 0.531422
C 2.912758 -0.452225 0.059475
C -2.907544 -0.231224 0.382443
C 3.707825 0.525919 -0.600164
C -3.517992 -1.412732 0.888188
C 3.528056 -1.346718 0.978996
C -3.707536 0.732204 -0.292921
C 5.093856 0.599029 -0.346298
C -4.902484 -1.619035 0.732157
C 4.913363 -1.271713 1.222487
C -5.092931 0.515670 -0.450617
C 5.702742 -0.301420 0.557872
C -5.696593 -0.654025 0.065615
H 1.586146 0.094760 -2.289610
H -0.010550 -0.645514 -1.801714
H -1.582826 2.162077 0.694562
H 0.013380 1.446203 1.219068
H 3.243486 1.263311 -1.264834
H -2.893290 -2.149539 1.402377
H 2.906770 -2.092489 1.484336
H -3.248537 1.620117 -0.742620
H 5.695700 1.365053 -0.846776
H -5.365651 -2.526938 1.133635
H 5.380846 -1.970853 1.924383
H -5.698405 1.255437 -0.985061
H 6.780681 -0.246876 0.745742
H -6.773974 -0.814264 -0.051729


