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	hartrees
Energy at 0K	-173.154811
Energy at 298.15K	-173.163293
HF Energy	-173.154811
Nuclear repulsion energy	125.463219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3516	3329	0.73
2	A	3275	3101	11.58
3	A	3181	3012	4.15
4	A	3118	2953	46.17
5	A	1697	1607	17.91
6	A	1545	1463	16.98
7	A	1439	1363	17.73
8	A	1268	1201	0.11
9	A	1202	1139	9.87
10	A	1080	1023	11.45
11	A	1037	982	10.62
12	A	880	834	115.60
13	A	845	801	43.35
14	A	777	735	2.56
15	A	416	394	6.68
16	A	3601	3410	0.62
17	A	3264	3091	0.49
18	A	3177	3008	13.11
19	A	1476	1398	1.72
20	A	1291	1222	1.27
21	A	1206	1143	0.08
22	A	1139	1078	0.42
23	A	1079	1022	1.51
24	A	940	890	10.23
25	A	849	804	1.28
26	A	408	386	12.16
27	A	294	279	36.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.323	0.422	0.000
H2	-1.264	0.976	0.000
N3	0.915	1.158	0.000
C4	-0.323	-0.876	0.752
C5	-0.323	-0.876	-0.752
H6	0.964	1.760	0.818
H7	0.964	1.760	-0.818
H8	-1.229	-1.172	1.270
H9	-1.229	-1.172	-1.270
H10	0.605	-1.139	1.245
H11	0.605	-1.139	-1.245

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0919	1.4405	1.4994	1.4994	2.0295	2.0295	2.2298	2.2298	2.2020	2.2020
H2	1.0919		2.1869	2.2086	2.2086	2.5003	2.5003	2.4952	2.4952	3.0853	3.0853
N3	1.4405	2.1869		2.4965	2.4965	1.0172	1.0172	3.4110	3.4110	2.6307	2.6307
C4	1.4994	2.2086	2.4965		1.5030	2.9343	3.3271	1.0844	2.2343	1.0842	2.2174
C5	1.4994	2.2086	2.4965	1.5030		3.3271	2.9343	2.2343	1.0844	2.2174	1.0842
H6	2.0295	2.5003	1.0172	2.9343	3.3271		1.6363	3.6893	4.2150	2.9524	3.5763
H7	2.0295	2.5003	1.0172	3.3271	2.9343	1.6363		4.2150	3.6893	3.5763	2.9524
H8	2.2298	2.4952	3.4110	1.0844	2.2343	3.6893	4.2150		2.5391	1.8347	3.1124
H9	2.2298	2.4952	3.4110	2.2343	1.0844	4.2150	3.6893	2.5391		3.1124	1.8347
H10	2.2020	3.0853	2.6307	1.0842	2.2174	2.9524	3.5763	1.8347	3.1124		2.4893
H11	2.2020	3.0853	2.6307	2.2174	1.0842	3.5763	2.9524	3.1124	1.8347	2.4893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.135	C1	N3	H7	110.135
C1	C4	C5	59.919	C1	C4	H8	118.424
C1	C4	H10	115.998	C1	C5	C4	59.919
C1	C5	H9	118.424	C1	C5	H11	115.998
H2	C1	N3	118.794	H2	C1	C4	116.041
H2	C1	C5	116.041	N3	C1	C4	116.234
N3	C1	C5	116.234	C4	C1	C5	60.162
C4	C5	H9	118.537	C4	C5	H11	117.053
C5	C4	H8	118.537	C5	C4	H10	117.053
H6	N3	H7	107.084	H8	C4	H10	115.567
H9	C5	H11	115.567

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: M06-2X/6-31G*

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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Number	Element	Mulliken
1	C	-0.034
2	H	0.149
3	N	-0.761
4	C	-0.344
5	C	-0.344
6	H	0.318
7	H	0.318
8	H	0.168
9	H	0.168
10	H	0.182
11	H	0.182

	x	y	z
x	5.241	0.553	0.000
y	0.553	5.576	0.000
z	0.000	0.000	5.419

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)