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	hartrees
Energy at 0K	-172.963121
Energy at 298.15K	-172.971574
HF Energy	-172.151803
Nuclear repulsion energy	126.024273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3370	0.13
2	A'	3285	3125	6.65
3	A'	3198	3042	3.82
4	A'	3144	2991	29.57
5	A'	1665	1584	16.87
6	A'	1523	1449	18.33
7	A'	1425	1356	23.70
8	A'	1266	1204	0.94
9	A'	1191	1133	3.34
10	A'	1041	990	10.34
11	A'	1024	974	10.65
12	A'	849	807	31.37
13	A'	809	769	109.96
14	A'	773	736	3.46
15	A'	414	394	5.34
16	A"	3628	3452	6.98
17	A"	3270	3111	0.24
18	A"	3188	3033	11.01
19	A"	1470	1398	2.36
20	A"	1271	1209	0.89
21	A"	1201	1143	0.43
22	A"	1135	1080	1.26
23	A"	1054	1003	1.77
24	A"	916	872	11.03
25	A"	843	802	2.75
26	A"	406	386	6.05
27	A"	272	259	27.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.311	0.408	0.000
H2	-1.261	0.930	0.000
N3	0.887	1.191	0.000
C4	-0.311	-0.884	0.749
C5	-0.311	-0.884	-0.749
H6	0.939	1.776	0.820
H7	0.939	1.776	-0.820
H8	-1.210	-1.169	1.270
H9	-1.210	-1.169	-1.270
H10	0.598	-1.160	1.257
H11	0.598	-1.160	-1.257

	C1	H2	N3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.0837	1.4307	1.4937	1.4937	2.0263	2.0263	2.2154	2.2154	2.2057	2.2057
H2	1.0837		2.1630	2.1806	2.1806	2.4951	2.4951	2.4539	2.4539	3.0664	3.0664
N3	1.4307	2.1630		2.5100	2.5100	1.0088	1.0088	3.4024	3.4024	2.6813	2.6813
C4	1.4937	2.1806	2.5100		1.4980	2.9403	3.3318	1.0775	2.2283	1.0769	2.2193
C5	1.4937	2.1806	2.5100	1.4980		3.3318	2.9403	2.2283	1.0775	2.2193	1.0769
H6	2.0263	2.4951	1.0088	2.9403	3.3318		1.6393	3.6736	4.2022	2.9884	3.6126
H7	2.0263	2.4951	1.0088	3.3318	2.9403	1.6393		4.2022	3.6736	3.6126	2.9884
H8	2.2154	2.4539	3.4024	1.0775	2.2283	3.6736	4.2022		2.5397	1.8080	3.1069
H9	2.2154	2.4539	3.4024	2.2283	1.0775	4.2022	3.6736	2.5397		3.1069	1.8080
H10	2.2057	3.0664	2.6813	1.0769	2.2193	2.9884	3.6126	1.8080	3.1069		2.5136
H11	2.2057	3.0664	2.6813	2.2193	1.0769	3.6126	2.9884	3.1069	1.8080	2.5136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	111.156	C1	N3	H7	111.156
C1	C4	C5	59.905	C1	C4	H8	118.094
C1	C4	H10	117.271	C1	C5	C4	59.905
C1	C5	H9	118.094	C1	C5	H11	117.271
H2	C1	N3	118.036	H2	C1	C4	114.641
H2	C1	C5	114.641	N3	C1	C4	118.241
N3	C1	C5	118.241	C4	C1	C5	60.190
C4	C5	H9	118.909	C4	C5	H11	118.134
C5	C4	H8	118.909	C5	C4	H10	118.134
H6	N3	H7	108.688	H8	C4	H10	114.115
H9	C5	H11	114.115

All results from a given calculation for C₃H₇N (Cyclopropylamine)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇N (Cyclopropylamine)