Triethylamine MP2/6-311+G(d,p) NoSymm opt,
symmetrized to C3. eQeff/h = 4.5586(40) MHz/a.u.
0 1
X
N 1 1.00000000
C 2 1.46599534 1 108.32377348
C 3 1.52560539 2 112.48252846 1 -39.16943087
H 3 1.10739297 2 110.51189946 1 -163.13256930
H 3 1.09379366 2 108.02368395 1 80.58852043
H 4 1.09495905 3 110.20313338 2 178.74835145
H 4 1.09313058 3 111.89041793 2 -61.37592089
H 4 1.09300076 3 109.80423284 2 58.81123001
C 2 1.46599534 1 108.32377348 3 120.00000000
C 10 1.52560539 2 112.48252846 1 -39.16943087
H 10 1.10739297 2 110.51189946 1 -163.13256930
H 10 1.09379366 2 108.02368395 1 80.58852043
H 11 1.09495905 10 110.20313338 2 178.74835145
H 11 1.09313058 10 111.89041793 2 -61.37592089
H 11 1.09300076 10 109.80423284 2 58.81123001
C 2 1.46599534 1 108.32377348 10 120.00000000
C 17 1.52560539 2 112.48252846 1 -39.16943087
H 17 1.10739297 2 110.51189946 1 -163.13256930
H 17 1.09379366 2 108.02368395 1 80.58852043
H 18 1.09495905 17 110.20313338 2 178.74835145
H 18 1.09313058 17 111.89041793 2 -61.37592089
H 18 1.09300076 17 109.80423284 2 58.81123001
Triethylamine MP2/6-311+G(df,pd) NoSymm opt,
symmetrized to C3. eQeff/h = 4.5586(40) MHz/a.u.
0 1
X
N 1 1.00000000
C 2 1.45983145 1 108.20626539
C 3 1.52090553 2 112.56833911 1 -39.20347964
H 3 1.10596445 2 110.50553999 1 -163.14084518
H 3 1.09205794 2 107.98268140 1 80.58961573
H 4 1.09236808 3 110.21070126 2 178.83094629
H 4 1.09078575 3 111.81804466 2 -61.29376936
H 4 1.09067653 3 109.77436888 2 58.85386473
C 2 1.45983145 1 108.20626539 3 120.00000000
C 10 1.52090553 2 112.56833911 1 -39.20347964
H 10 1.10596445 2 110.50553999 1 -163.14084518
H 10 1.09205794 2 107.98268140 1 80.58961573
H 11 1.09236808 10 110.21070126 2 178.83094629
H 11 1.09078575 10 111.81804466 2 -61.29376936
H 11 1.09067653 10 109.77436888 2 58.85386473
C 2 1.45983145 1 108.20626539 3 -120.00000000
C 17 1.52090553 2 112.56833911 1 -39.20347964
H 17 1.10596445 2 110.50553999 1 -163.14084518
H 17 1.09205794 2 107.98268140 1 80.58961573
H 18 1.09236808 17 110.21070126 2 178.83094629
H 18 1.09078575 17 111.81804466 2 -61.29376936
H 18 1.09067653 17 109.77436888 2 58.85386473