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	hartrees
Energy at 0K	-173.171879
Energy at 298.15K	-173.180298
Nuclear repulsion energy	125.504611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3540	3386	0.34
2	A	3264	3122	14.81
3	A	3168	3031	6.14
4	A	3099	2965	51.37
5	A	1661	1589	23.16
6	A	1513	1448	22.66
7	A	1411	1350	24.52
8	A	1256	1201	0.55
9	A	1186	1134	6.30
10	A	1057	1011	15.58
11	A	1022	978	7.08
12	A	846	809	24.69
13	A	800	765	151.38
14	A	774	741	4.42
15	A	408	390	6.27
16	A	3632	3475	3.17
17	A	3252	3111	0.30
18	A	3163	3026	20.50
19	A	1450	1388	2.44
20	A	1259	1204	1.83
21	A	1193	1141	0.26
22	A	1124	1075	1.18
23	A	1068	1022	2.24
24	A	920	880	11.87
25	A	844	807	2.60
26	A	399	382	6.92
27	A	278	266	36.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.322	0.420	0.000
H2	-1.263	0.972	0.000
N3	0.905	1.166	0.000
C4	-0.322	-0.877	0.751
C5	-0.322	-0.877	-0.751
H6	0.979	1.757	0.820
H7	0.979	1.757	-0.820
H8	-1.226	-1.172	1.271
H9	-1.226	-1.172	-1.271
H10	0.605	-1.147	1.245
H11	0.605	-1.147	-1.245

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0913	1.4361	1.4989	1.4989	2.0379	2.0379	2.2288	2.2288	2.2050	2.2050
H2	1.0913		2.1766	2.2069	2.2069	2.5130	2.5130	2.4928	2.4928	3.0866	3.0866
N3	1.4361	2.1766		2.4991	2.4991	1.0135	1.0135	3.4099	3.4099	2.6439	2.6439
C4	1.4989	2.2069	2.4991		1.5029	2.9385	3.3318	1.0841	2.2349	1.0838	2.2177
C5	1.4989	2.2069	2.4991	1.5029		3.3318	2.9385	2.2349	1.0841	2.2177	1.0838
H6	2.0379	2.5130	1.0135	2.9385	3.3318		1.6409	3.6942	4.2210	2.9580	3.5829
H7	2.0379	2.5130	1.0135	3.3318	2.9385	1.6409		4.2210	3.6942	3.5829	2.9580
H8	2.2288	2.4928	3.4099	1.0841	2.2349	3.6942	4.2210		2.5413	1.8315	3.1120
H9	2.2288	2.4928	3.4099	2.2349	1.0841	4.2210	3.6942	2.5413		3.1120	1.8315
H10	2.2050	3.0866	2.6439	1.0838	2.2177	2.9580	3.5829	1.8315	3.1120		2.4909
H11	2.2050	3.0866	2.6439	2.2177	1.0838	3.5829	2.9580	3.1120	1.8315	2.4909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.421	C1	N3	H7	111.421
C1	C4	C5	59.911	C1	C4	H8	118.402
C1	C4	H10	116.322	C1	C5	C4	59.911
C1	C5	H9	118.402	C1	C5	H11	116.322
H2	C1	N3	118.265	H2	C1	C4	115.972
H2	C1	C5	115.972	N3	C1	C4	116.736
N3	C1	C5	116.736	C4	C1	C5	60.178
C4	C5	H9	118.615	C4	C5	H11	117.115
C5	C4	H8	118.615	C5	C4	H10	117.115
H6	N3	H7	108.087	H8	C4	H10	115.305
H9	C5	H11	115.305

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B1B95/6-31+G**

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	-0.290
2	H	0.144
3	N	-0.594
4	C	-0.252
5	C	-0.252
6	H	0.293
7	H	0.293
8	H	0.157
9	H	0.157
10	H	0.172
11	H	0.172

	x	y	z	Total
	-0.829	1.055	0.000	1.341
CHELPG
AIM
ESP

	x	y	z
x	6.094	0.398	0.000
y	0.398	6.642	0.000
z	0.000	0.000	6.211

<r²>	77.337
(<r²>)^1/2	8.794

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)