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	hartrees
Energy at 0K	-173.314127
Energy at 298.15K	-173.322550
Nuclear repulsion energy	125.285905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3484	3368	1.04
2	A	3223	3115	18.37
3	A	3135	3030	6.78
4	A	3062	2960	52.18
5	A	1659	1604	13.76
6	A	1503	1453	14.55
7	A	1410	1363	22.46
8	A	1240	1199	1.80
9	A	1175	1136	5.51
10	A	1052	1017	16.47
11	A	1010	976	2.84
12	A	842	814	75.42
13	A	808	781	71.49
14	A	771	745	4.04
15	A	412	398	5.57
16	A	3559	3440	0.60
17	A	3210	3103	0.16
18	A	3130	3026	23.41
19	A	1461	1412	2.19
20	A	1269	1226	1.25
21	A	1200	1160	0.20
22	A	1136	1098	0.56
23	A	1077	1041	1.64
24	A	895	865	7.40
25	A	844	816	5.28
26	A	398	385	5.11
27	A	266	257	30.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.526	0.000
H2	-0.414	1.532	0.000
N3	1.435	0.381	0.000
C4	-0.791	-0.505	0.754
C5	-0.791	-0.505	-0.754
H6	1.843	0.820	0.816
H7	1.843	0.820	-0.816
H8	-1.686	-0.189	1.271
H9	-1.686	-0.189	-1.271
H10	-0.224	-1.281	1.246
H11	-0.224	-1.281	-1.246

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0881	1.4418	1.5019	1.5019	2.0373	2.0373	2.2293	2.2293	2.2064	2.2064
H2	1.0881		2.1779	2.2041	2.2041	2.5039	2.5039	2.4891	2.4891	3.0827	3.0827
N3	1.4418	2.1779		2.5111	2.5111	1.0131	1.0131	3.4175	3.4175	2.6581	2.6581
C4	1.5019	2.2041	2.5111		1.5072	2.9495	3.3407	1.0808	2.2358	1.0804	2.2190
C5	1.5019	2.2041	2.5111	1.5072		3.3407	2.9495	2.2358	1.0808	2.2190	1.0804
H6	2.0373	2.5039	1.0131	2.9495	3.3407		1.6325	3.6990	4.2228	2.9789	3.5976
H7	2.0373	2.5039	1.0131	3.3407	2.9495	1.6325		4.2228	3.6990	3.5976	2.9789
H8	2.2293	2.4891	3.4175	1.0808	2.2358	3.6990	4.2228		2.5417	1.8250	3.1090
H9	2.2293	2.4891	3.4175	2.2358	1.0808	4.2228	3.6990	2.5417		3.1090	1.8250
H10	2.2064	3.0827	2.6581	1.0804	2.2190	2.9789	3.5976	1.8250	3.1090		2.4924
H11	2.2064	3.0827	2.6581	2.2190	1.0804	3.5976	2.9789	3.1090	1.8250	2.4924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.965	C1	N3	H7	110.965
C1	C4	C5	59.884	C1	C4	H8	118.437
C1	C4	H10	116.442	C1	C5	C4	59.884
C1	C5	H9	118.437	C1	C5	H11	116.442
H2	C1	N3	118.154	H2	C1	C4	115.711
H2	C1	C5	115.711	N3	C1	C4	117.072
N3	C1	C5	117.072	C4	C1	C5	60.232
C4	C5	H9	118.592	C4	C5	H11	117.126
C5	C4	H8	118.592	C5	C4	H10	117.126
H6	N3	H7	107.356	H8	C4	H10	115.231
H9	C5	H11	115.231

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3LYP/cc-pVTZ

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	ESP
1	C	0.003	0.250
2	H	0.081	0.017
3	N	-0.318	-0.788
4	C	-0.219	-0.302
5	C	-0.219	-0.302
6	H	0.131	0.305
7	H	0.131	0.305
8	H	0.103	0.116
9	H	0.103	0.116
10	H	0.102	0.142
11	H	0.102	0.142

	x	y	z	Total
	0.050	1.239	0.000	1.240
CHELPG
AIM
ESP	0.053	1.223	0.000	1.225

	x	y	z
x	6.787	0.475	0.000
y	0.475	5.953	0.000
z	0.000	0.000	6.298

<r²>	77.703
(<r²>)^1/2	8.815

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)