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	hartrees
Energy at 0K	-172.822695
Energy at 298.15K	-172.831209
HF Energy	-172.106795
Nuclear repulsion energy	125.880712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3565	3350	0.35
2	A'	3334	3134	5.13
3	A'	3227	3033	3.01
4	A'	3169	2979	33.60
5	A'	1683	1582	15.71
6	A'	1533	1441	17.01
7	A'	1440	1354	15.99
8	A'	1275	1199	0.12
9	A'	1206	1134	6.75
10	A'	1072	1007	12.48
11	A'	1044	981	11.65
12	A'	882	829	107.62
13	A'	849	798	33.72
14	A'	789	741	2.68
15	A'	411	387	5.67
16	A"	3661	3441	4.05
17	A"	3324	3124	0.29
18	A"	3222	3028	8.35
19	A"	1475	1386	1.92
20	A"	1292	1215	1.02
21	A"	1218	1145	0.10
22	A"	1155	1085	0.64
23	A"	1079	1014	1.40
24	A"	943	886	8.94
25	A"	860	808	1.61
26	A"	412	387	8.94
27	A"	288	271	30.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.410	0.000
H2	-1.264	0.935	0.000
N3	0.890	1.188	0.000
C4	-0.311	-0.884	0.749
C5	-0.311	-0.884	-0.749
H6	0.925	1.779	0.817
H7	0.925	1.779	-0.817
H8	-1.211	-1.169	1.272
H9	-1.211	-1.169	-1.272
H10	0.600	-1.161	1.258
H11	0.600	-1.161	-1.258

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0880	1.4305	1.4950	1.4950	2.0179	2.0179	2.2186	2.2186	2.2088	2.2088
H2	1.0880		2.1682	2.1856	2.1856	2.4847	2.4847	2.4589	2.4589	3.0736	3.0736
N3	1.4305	2.1682		2.5090	2.5090	1.0096	1.0096	3.4042	3.4042	2.6806	2.6806
C4	1.4950	2.1856	2.5090		1.4987	2.9370	3.3281	1.0799	2.2314	1.0790	2.2214
C5	1.4950	2.1856	2.5090	1.4987		3.3281	2.9370	2.2314	1.0799	2.2214	1.0790
H6	2.0179	2.4847	1.0096	2.9370	3.3281		1.6348	3.6696	4.1983	2.9913	3.6139
H7	2.0179	2.4847	1.0096	3.3281	2.9370	1.6348		4.1983	3.6696	3.6139	2.9913
H8	2.2186	2.4589	3.4042	1.0799	2.2314	3.6696	4.1983		2.5443	1.8114	3.1116
H9	2.2186	2.4589	3.4042	2.2314	1.0799	4.1983	3.6696	2.5443		3.1116	1.8114
H10	2.2088	3.0736	2.6806	1.0790	2.2214	2.9913	3.6139	1.8114	3.1116		2.5158
H11	2.2088	3.0736	2.6806	2.2214	1.0790	3.6139	2.9913	3.1116	1.8114	2.5158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.389	C1	N3	H7	110.389
C1	C4	C5	59.919	C1	C4	H8	118.103
C1	C4	H10	117.295	C1	C5	C4	59.919
C1	C5	H9	118.103	C1	C5	H11	117.295
H2	C1	N3	118.195	H2	C1	C4	114.672
H2	C1	C5	114.672	N3	C1	C4	118.087
N3	C1	C5	118.087	C4	C1	C5	60.163
C4	C5	H9	118.954	C4	C5	H11	118.117
C5	C4	H8	118.954	C5	C4	H10	118.117
H6	N3	H7	108.126	H8	C4	H10	114.073
H9	C5	H11	114.073

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)