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	hartrees
Energy at 0K	-172.098188
Energy at 298.15K	-172.106892
Nuclear repulsion energy	126.004492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3741	3377	0.54
2	A	3389	3059	31.14
3	A	3300	2979	10.97
4	A	3243	2927	59.18
5	A	1803	1628	21.87
6	A	1657	1495	15.25
7	A	1547	1397	22.84
8	A	1337	1207	0.87
9	A	1284	1159	12.73
10	A	1182	1067	8.00
11	A	1089	983	2.37
12	A	930	840	132.45
13	A	875	790	52.63
14	A	835	754	4.05
15	A	440	397	6.84
16	A	3829	3456	1.26
17	A	3375	3046	0.11
18	A	3291	2970	30.06
19	A	1589	1434	0.62
20	A	1379	1244	3.20
21	A	1309	1181	0.07
22	A	1249	1127	0.21
23	A	1205	1087	0.53
24	A	987	891	13.79
25	A	914	825	4.67
26	A	431	389	8.46
27	A	306	277	39.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.523	0.000
H2	-0.407	1.526	0.000
N3	1.426	0.383	0.000
C4	-0.786	-0.502	0.750
C5	-0.786	-0.502	-0.750
H6	1.832	0.808	0.810
H7	1.832	0.808	-0.810
H8	-1.679	-0.190	1.262
H9	-1.679	-0.190	-1.262
H10	-0.226	-1.275	1.245
H11	-0.226	-1.275	-1.245

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0819	1.4331	1.4939	1.4939	2.0228	2.0228	2.2183	2.2183	2.1988	2.1988
H2	1.0819		2.1599	2.1954	2.1954	2.4862	2.4862	2.4811	2.4811	3.0705	3.0705
N3	1.4331	2.1599		2.4979	2.4979	1.0003	1.0003	3.4006	3.4006	2.6509	2.6509
C4	1.4939	2.1954	2.4979		1.4998	2.9278	3.3168	1.0760	2.2235	1.0751	2.2111
C5	1.4939	2.1954	2.4979	1.4998		3.3168	2.9278	2.2235	1.0760	2.2111	1.0751
H6	2.0228	2.4862	1.0003	2.9278	3.3168		1.6195	3.6777	4.1969	2.9599	3.5766
H7	2.0228	2.4862	1.0003	3.3168	2.9278	1.6195		4.1969	3.6777	3.5766	2.9599
H8	2.2183	2.4811	3.4006	1.0760	2.2235	3.6777	4.1969		2.5243	1.8141	3.0942
H9	2.2183	2.4811	3.4006	2.2235	1.0760	4.1969	3.6777	2.5243		3.0942	1.8141
H10	2.1988	3.0705	2.6509	1.0751	2.2111	2.9599	3.5766	1.8141	3.0942		2.4891
H11	2.1988	3.0705	2.6509	2.2111	1.0751	3.5766	2.9599	3.0942	1.8141	2.4891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.213	C1	N3	H7	111.213
C1	C4	C5	59.869	C1	C4	H8	118.439
C1	C4	H10	116.768	C1	C5	C4	59.869
C1	C5	H9	118.439	C1	C5	H11	116.768
H2	C1	N3	117.692	H2	C1	C4	116.008
H2	C1	C5	116.008	N3	C1	C4	117.149
N3	C1	C5	117.149	C4	C1	C5	60.262
C4	C5	H9	118.428	C4	C5	H11	117.390
C5	C4	H8	118.428	C5	C4	H10	117.390
H6	N3	H7	108.090	H8	C4	H10	114.981
H9	C5	H11	114.981

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: HF/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	CHELPG
1	C	0.031	0.309
2	H	0.114	-0.001
3	N	-0.699	-0.898
4	C	-0.259	-0.256
5	C	-0.259	-0.256
6	H	0.267	0.338
7	H	0.267	0.338
8	H	0.126	0.090
9	H	0.126	0.090
10	H	0.143	0.123
11	H	0.143	0.123

	x	y	z	Total
	-0.010	1.365	0.000	1.365
CHELPG
AIM
ESP

	x	y	z
x	5.662	0.315	0.000
y	0.315	4.806	0.000
z	0.000	0.000	5.329

<r²>	76.759
(<r²>)^1/2	8.761

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)