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	hartrees
Energy at 0K	-173.180983
Energy at 298.15K	-173.189432
Nuclear repulsion energy	125.205919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3488	3337	2.52
2	A	3258	3117	18.90
3	A	3166	3029	7.01
4	A	3078	2945	61.53
5	A	1696	1623	15.18
6	A	1531	1465	16.31
7	A	1432	1370	19.86
8	A	1261	1207	0.31
9	A	1194	1142	8.83
10	A	1069	1023	13.94
11	A	1031	986	9.79
12	A	869	832	116.66
13	A	833	797	42.07
14	A	781	748	2.50
15	A	411	394	6.85
16	A	3575	3420	0.02
17	A	3246	3105	0.25
18	A	3161	3024	21.24
19	A	1473	1410	1.89
20	A	1289	1233	1.34
21	A	1208	1156	0.07
22	A	1139	1089	0.48
23	A	1077	1031	1.95
24	A	920	880	9.82
25	A	851	814	1.97
26	A	401	384	10.58
27	A	288	275	39.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.528	0.000
H2	-0.422	1.539	0.000
N3	1.432	0.379	0.000
C4	-0.788	-0.507	0.753
C5	-0.788	-0.507	-0.753
H6	1.832	0.835	0.817
H7	1.832	0.835	-0.817
H8	-1.689	-0.194	1.274
H9	-1.689	-0.194	-1.274
H10	-0.214	-1.284	1.249
H11	-0.214	-1.284	-1.249

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0951	1.4395	1.5031	1.5031	2.0291	2.0291	2.2353	2.2353	2.2112	2.2112
H2	1.0951		2.1863	2.2105	2.2105	2.4982	2.4982	2.4963	2.4963	3.0938	3.0938
N3	1.4395	2.1863		2.5060	2.5060	1.0177	1.0177	3.4191	3.4191	2.6524	2.6524
C4	1.5031	2.2105	2.5060		1.5055	2.9442	3.3361	1.0867	2.2398	1.0860	2.2224
C5	1.5031	2.2105	2.5060	1.5055		3.3361	2.9442	2.2398	1.0867	2.2224	1.0860
H6	2.0291	2.4982	1.0177	2.9442	3.3361		1.6348	3.6962	4.2222	2.9769	3.5979
H7	2.0291	2.4982	1.0177	3.3361	2.9442	1.6348		4.2222	3.6962	3.5979	2.9769
H8	2.2353	2.4963	3.4191	1.0867	2.2398	3.6962	4.2222		2.5479	1.8341	3.1188
H9	2.2353	2.4963	3.4191	2.2398	1.0867	4.2222	3.6962	2.5479		3.1188	1.8341
H10	2.2112	3.0938	2.6524	1.0860	2.2224	2.9769	3.5979	1.8341	3.1188		2.4974
H11	2.2112	3.0938	2.6524	2.2224	1.0860	3.5979	2.9769	3.1188	1.8341	2.4974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.151	C1	N3	H7	110.151
C1	C4	C5	59.947	C1	C4	H8	118.451
C1	C4	H10	116.384	C1	C5	C4	59.947
C1	C5	H9	118.451	C1	C5	H11	116.384
H2	C1	N3	118.582	H2	C1	C4	115.705
H2	C1	C5	115.705	N3	C1	C4	116.760
N3	C1	C5	116.760	C4	C1	C5	60.107
C4	C5	H9	118.659	C4	C5	H11	117.171
C5	C4	H8	118.659	C5	C4	H10	117.171
H6	N3	H7	106.865	H8	C4	H10	115.165
H9	C5	H11	115.165

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.036	0.218
2	H	0.150	0.041
3	N	-0.749	-0.853
4	C	-0.355	-0.343
5	C	-0.355	-0.343
6	H	0.316	0.338
7	H	0.316	0.338
8	H	0.171	0.135
9	H	0.171	0.135
10	H	0.186	0.166
11	H	0.186	0.166

	x	y	z	Total
	0.045	1.390	0.000	1.390
CHELPG
AIM
ESP	0.061	1.382	0.000	1.383

<r²>	77.148
(<r²>)^1/2	8.783

All results from a given calculation for C3H7N (Cyclopropylamine)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)