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	hartrees
Energy at 0K	-31.018087
Energy at 298.15K	-31.026389
Nuclear repulsion energy	69.823921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3468	3350	3.52
2	A	3239	3128	40.15
3	A	3142	3034	13.18
4	A	3071	2966	64.84
5	A	1672	1614	16.21
6	A	1505	1453	16.45
7	A	1388	1340	22.03
8	A	1222	1180	0.43
9	A	1164	1124	13.35
10	A	1026	991	17.95
11	A	999	965	8.58
12	A	870	841	124.48
13	A	797	769	22.85
14	A	744	719	3.75
15	A	395	381	6.68
16	A	3554	3432	0.08
17	A	3221	3111	0.02
18	A	3135	3027	32.60
19	A	1437	1388	2.01
20	A	1265	1221	2.06
21	A	1166	1126	0.00
22	A	1106	1068	1.13
23	A	1038	1002	2.39
24	A	880	849	14.13
25	A	815	787	5.04
26	A	378	365	9.79
27	A	273	263	37.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.534	0.000
H2	-0.382	1.567	0.000
N3	1.448	0.326	0.000
C4	-0.825	-0.498	0.769
C5	-0.825	-0.498	-0.769
H6	1.859	0.780	0.823
H7	1.859	0.780	-0.823
H8	-1.728	-0.161	1.287
H9	-1.728	-0.161	-1.287
H10	-0.260	-1.294	1.262
H11	-0.260	-1.294	-1.262

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.1009	1.4628	1.5287	1.5287	2.0479	2.0479	2.2644	2.2644	2.2365	2.2365
H2	1.1009		2.2108	2.2472	2.2472	2.5139	2.5139	2.5406	2.5406	3.1291	3.1291
N3	1.4628	2.2108		2.5369	2.5369	1.0254	1.0254	3.4616	3.4616	2.6709	2.6709
C4	1.5287	2.2472	2.5369		1.5371	2.9733	3.3718	1.0948	2.2705	1.0938	2.2529
C5	1.5287	2.2472	2.5369	1.5371		3.3718	2.9733	2.2705	1.0948	2.2529	1.0938
H6	2.0479	2.5139	1.0254	2.9733	3.3718		1.6451	3.7380	4.2670	2.9973	3.6243
H7	2.0479	2.5139	1.0254	3.3718	2.9733	1.6451		4.2670	3.7380	3.6243	2.9973
H8	2.2644	2.5406	3.4616	1.0948	2.2705	3.7380	4.2670		2.5741	1.8550	3.1523
H9	2.2644	2.5406	3.4616	2.2705	1.0948	4.2670	3.7380	2.5741		3.1523	1.8550
H10	2.2365	3.1291	2.6709	1.0938	2.2529	2.9973	3.6243	1.8550	3.1523		2.5236
H11	2.2365	3.1291	2.6709	2.2529	1.0938	3.6243	2.9973	3.1523	1.8550	2.5236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.527	C1	N3	H7	109.527
C1	C4	C5	59.816	C1	C4	H8	118.401
C1	C4	H10	116.059	C1	C5	C4	59.816
C1	C5	H9	118.401	C1	C5	H11	116.059
H2	C1	N3	118.477	H2	C1	C4	116.490
H2	C1	C5	116.490	N3	C1	C4	115.988
N3	C1	C5	115.988	C4	C1	C5	60.368
C4	C5	H9	118.267	C4	C5	H11	116.805
C5	C4	H8	118.267	C5	C4	H10	116.805
H6	N3	H7	106.678	H8	C4	H10	115.902
H9	C5	H11	115.902

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3LYP/CEP-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	-0.108
2	H	0.219
3	N	-0.544
4	C	-0.416
5	C	-0.416
6	H	0.255
7	H	0.255
8	H	0.189
9	H	0.189
10	H	0.188
11	H	0.188

	x	y	z	Total
	-0.017	1.464	0.000	1.464
CHELPG
AIM
ESP

	x	y	z
x	6.018	0.569	0.000
y	0.569	5.143	0.000
z	0.000	0.000	5.936

<r²>	67.762
(<r²>)^1/2	8.232

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)