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All results from a given calculation for C6H10 (Cyclopentene, 1-methyl-)

using model chemistry: MP2/6-31+G**

19 10 17 12 22

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C1 1A
Energy calculated at MP2/6-31+G**
 hartrees
Energy at 0K-233.881874
Energy at 298.15K 
HF Energy-233.036234
Nuclear repulsion energy233.732964
The energy at 298.15K was derived from the energy at 0K and an integrated heat capacity that used the calculated vibrational frequencies.
Vibrational Frequencies calculated at MP2/6-31+G**
Rotational Constants (cm-1) from geometry optimized at MP2/6-31+G**
ABC
0.23316 0.10146 0.07548

See section I.F.4 to change rotational constant units
Geometric Data calculated at MP2/6-31+G**

Point Group is C1

Cartesians (Å)
Atom x (Å) y (Å) z (Å)
C1 -0.756 0.075 -0.003
H2 -0.318 2.186 -0.074
C3 0.038 1.162 -0.025
H4 -2.648 -0.442 0.859
H5 -2.602 -0.547 -0.896
H6 -2.672 1.039 -0.111
C7 -2.251 0.036 -0.041
H8 -0.030 -1.590 1.151
H9 -0.271 -1.974 -0.547
C10 0.064 -1.188 0.136
H11 1.727 -0.899 -1.222
H12 2.250 -1.241 0.423
C13 1.501 -0.715 -0.170
H14 1.876 1.047 1.095
H15 2.125 1.351 -0.618
C16 1.499 0.808 0.094

Atom - Atom Distances (Å)
  C1 H2 C3 H4 H5 H6 C7 H8 H9 C10 H11 H12 C13 H14 H15 C16
C12.15641.34592.14202.14302.14751.49642.15252.17521.51282.93233.30872.39723.01263.20992.3728
H22.15641.08473.63293.65502.61832.89133.97964.18703.40193.87484.31063.42522.73392.63832.2859
C31.34591.08473.25033.26302.71382.55112.99373.19432.35602.92103.29672.38442.15552.17761.5079
H42.14203.63293.25031.75811.77051.09282.87363.15812.90424.86554.98104.28304.76795.30744.3976
H52.14303.65503.26301.75811.77091.09253.44932.75622.93034.35555.07584.17045.15325.10134.4311
H62.14752.61832.71381.77051.77091.09023.93553.87793.53694.93345.45044.52714.70484.83344.1820
C71.49642.89132.55111.09281.09251.09023.00012.86712.62534.25384.70163.82904.39834.60573.8312
H82.15253.97962.99372.87363.44933.93553.00011.75771.09633.03272.41802.20343.25374.05213.0340
H92.17524.18703.19433.15812.75623.87792.86711.75771.09352.36692.79832.20604.05334.09883.3593
C101.51283.40192.35602.90422.93033.53692.62531.09631.09352.16602.20481.54333.03273.35572.4589
H112.93233.87482.92104.86554.35554.93344.25383.03272.36692.16601.76041.09173.02932.36332.1680
H123.30874.31063.29674.98105.07585.45044.70162.41802.79832.20481.76041.09062.41342.79602.2073
C132.39723.42522.38444.28304.17044.52713.82902.20342.20601.54331.09171.09062.20102.20391.5462
H143.01262.73392.15554.76795.15324.70484.39833.25374.05333.03273.02932.41342.20101.75701.0954
H153.20992.63832.17765.30745.10134.83344.60574.05214.09883.35572.36332.79602.20391.75701.0924
C162.37282.28591.50794.39764.43114.18203.83123.03403.35932.45892.16802.20731.54621.09541.0924

picture of Cyclopentene, 1-methyl- state 1 conformation 1
More geometry information
Calculated Bond Angles
atom1 atom2 atom3 angle atom1 atom2 atom3 angle
C1 C3 H2 124.695 C1 C3 C16 112.376
C1 C7 H4 110.674 C1 C7 H5 110.776
C1 C7 H6 111.281 C1 C10 H8 110.151
C1 C10 H9 112.150 C1 C10 C13 103.323
H2 C3 C16 122.864 C3 C1 C7 127.595
C3 C1 C10 110.865 C3 C16 C13 102.648
C3 C16 H14 110.792 C3 C16 H15 112.774
H4 C7 H5 107.126 H4 C7 H6 108.394
H5 C7 H6 108.453 C7 C1 C10 121.483
H8 C10 H9 106.775 H8 C10 C13 112.072
H9 C10 C13 112.454 C10 C13 H11 109.376
C10 C13 H12 112.530 C10 C13 C16 105.476
H11 C13 H12 107.552 H11 C13 C16 109.334
H12 C13 C16 112.529 C13 C16 H14 111.727
C13 C16 H15 112.143 H14 C16 H15 106.851
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability