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	hartrees
Energy at 0K	-172.909494
Energy at 298.15K	-172.917977
HF Energy	-172.149235
Nuclear repulsion energy	125.417088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3525	3368	0.26
2	A'	3264	3119	15.00
3	A'	3172	3031	5.64
4	A'	3126	2987	37.74
5	A'	1679	1604	14.86
6	A'	1535	1466	16.11
7	A'	1438	1374	18.19
8	A'	1260	1204	0.76
9	A'	1197	1143	6.15
10	A'	1074	1026	13.72
11	A'	1032	986	5.11
12	A'	882	842	113.01
13	A'	830	794	24.49
14	A'	781	746	3.28
15	A'	410	392	5.40
16	A"	3605	3445	1.02
17	A"	3252	3107	0.18
18	A"	3165	3024	17.43
19	A"	1477	1411	1.83
20	A"	1293	1236	0.80
21	A"	1216	1162	0.23
22	A"	1154	1103	0.52
23	A"	1093	1044	1.13
24	A"	925	884	10.66
25	A"	855	817	3.96
26	A"	404	386	6.20
27	A"	269	257	30.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.409	0.000
H2	-1.264	0.935	0.000
N3	0.890	1.200	0.000
C4	-0.311	-0.890	0.752
C5	-0.311	-0.890	-0.752
H6	0.926	1.791	0.817
H7	0.926	1.791	-0.817
H8	-1.212	-1.178	1.274
H9	-1.212	-1.178	-1.274
H10	0.600	-1.168	1.263
H11	0.600	-1.168	-1.263

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0881	1.4375	1.5007	1.5007	2.0264	2.0264	2.2263	2.2263	2.2162	2.2162
H2	1.0881		2.1698	2.1911	2.1911	2.4892	2.4892	2.4678	2.4678	3.0802	3.0802
N3	1.4375	2.1698		2.5243	2.5243	1.0091	1.0091	3.4202	3.4202	2.6993	2.6993
C4	1.5007	2.1911	2.5243		1.5035	2.9526	3.3429	1.0813	2.2364	1.0805	2.2283
C5	1.5007	2.1911	2.5243	1.5035		3.3429	2.9526	2.2364	1.0813	2.2283	1.0805
H6	2.0264	2.4892	1.0091	2.9526	3.3429		1.6344	3.6872	4.2144	3.0098	3.6315
H7	2.0264	2.4892	1.0091	3.3429	2.9526	1.6344		4.2144	3.6872	3.6315	3.0098
H8	2.2263	2.4678	3.4202	1.0813	2.2364	3.6872	4.2144		2.5488	1.8118	3.1179
H9	2.2263	2.4678	3.4202	2.2364	1.0813	4.2144	3.6872	2.5488		3.1179	1.8118
H10	2.2162	3.0802	2.6993	1.0805	2.2283	3.0098	3.6315	1.8118	3.1179		2.5260
H11	2.2162	3.0802	2.6993	2.2283	1.0805	3.6315	3.0098	3.1179	1.8118	2.5260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.613	C1	N3	H7	110.613
C1	C4	C5	59.939	C1	C4	H8	118.233
C1	C4	H10	117.391	C1	C5	C4	59.939
C1	C5	H9	118.233	C1	C5	H11	117.391
H2	C1	N3	117.769	H2	C1	C4	114.702
H2	C1	C5	114.702	N3	C1	C4	118.420
N3	C1	C5	118.420	C4	C1	C5	60.122
C4	C5	H9	118.907	C4	C5	H11	118.238
C5	C4	H8	118.907	C5	C4	H10	118.238
H6	N3	H7	108.166	H8	C4	H10	113.887
H9	C5	H11	113.887

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: QCISD/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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All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)