%chk=boat_qst2.chk %mem=6MW %nproc=1 # opt=(calcfc,qst2,noeigen) freq hf/3-21g geom=connectivity Title Card Required 0 1 C C 1 B1 C 2 1.50886247 1 124.80452042 C 3 B2 2 A1 1 D1 C 4 B3 3 A2 2 D2 C 5 B4 4 A3 3 D3 H 1 B5 2 A4 3 D4 H 2 B6 3 A5 4 D5 H 5 B7 3 A6 4 D6 H 6 B8 5 A7 3 D7 H 6 B9 5 A8 3 D8 H 1 B10 2 A9 3 D9 H 3 B11 2 112.83838298 1 4.87070616 H 3 B12 1 A10 13 110.08453956 H 3 B13 13 A11 14 D10 H 3 B14 13 A12 14 D11 B1 1.31607193 B2 1.55279623 B3 1.50884785 B4 1.31608483 B5 1.07337353 B6 1.07692847 B7 1.07693220 B8 1.07337288 B9 1.07465031 B10 1.07465264 B11 1.08478400 B12 1.08556214 B13 2.20632283 B14 2.19291084 A1 100.00000000 A2 100.00000000 A3 124.80502495 A4 121.86474732 A5 115.50701095 A6 94.07160592 A7 121.86426256 A8 121.82348612 A9 121.82306451 A10 126.09286666 A11 85.27241239 A12 123.75598609 D1 -114.65328241 D2 -0.00000000 D3 114.67542669 D4 179.12926437 D5 64.33419929 D6 125.40646817 D7 -127.35391489 D8 52.82715756 D9 -1.06346468 D10 -122.78938270 D11 -94.31778860 1 2 2.0 12 1.0 7 1.0 2 3 1.0 8 1.0 3 13 1.0 14 1.0 4 1.0 4 15 1.0 16 1.0 5 1.0 5 6 2.0 9 1.0 6 10 1.0 11 1.0 7 8 9 10 11 12 13 14 15 16 Title Card Required 0 1 C C 1 B1 C 2 1.31608483 1 124.80502489 C 1 B2 2 A1 3 D1 C 4 B3 1 A2 2 D2 C 5 B4 4 A3 1 D3 H 1 B5 2 A4 3 D4 H 2 B6 3 A5 6 D5 H 4 B7 6 A6 3 D6 H 6 B8 5 A7 4 D7 H 6 B9 5 A8 4 127.17759481 H 1 B10 2 112.84229836 3 -4.85507670 H 3 B11 12 A9 11 D8 H 3 B12 13 A10 12 D9 H 4 B13 5 A11 3 D10 H 4 B14 5 A12 3 D11 B1 1.50884784 B2 3.35919147 B3 1.31607193 B4 1.50886247 B5 1.08556553 B6 1.07693220 B7 2.07254409 B8 1.08478400 B9 1.08556214 B10 1.08478619 B11 1.07337288 B12 1.07465031 B13 1.07465264 B14 1.07337353 A1 59.59848220 A2 31.79968822 A3 124.80452043 A4 112.73090886 A5 119.67988174 A6 56.47450577 A7 112.83838297 A8 112.73612055 A9 175.14665017 A10 116.31202098 A11 121.82306451 A12 121.86474732 D1 94.86061983 D2 88.62799125 D3 51.73450367 D4 -127.15898330 D5 127.15993472 D6 71.14587757 D7 4.87070608 D8 -40.93118344 D9 166.98468160 D10 -96.92583521 D11 83.26689384 1 12 1.0 7 1.0 6 1.0 2 1.0 2 3 2.0 8 1.0 3 13 1.0 14 1.0 4 5 2.0 15 1.0 16 1.0 5 6 1.0 9 1.0 6 11 1.0 10 1.0 7 8 9 10 11 12 13 14 15 16