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	hartrees
Energy at 0K	-286.995787
Energy at 298.15K
HF Energy	-286.070072
Nuclear repulsion energy	238.670943

Atom	x (Å)	y (Å)	z (Å)
C1	-2.723	-0.198	0.030
H2	-2.874	-0.292	1.107
H3	-3.509	0.448	-0.361
H4	-2.855	-1.187	-0.412
C5	-1.343	0.368	-0.279
H6	-1.223	0.488	-1.359
H7	-1.228	1.361	0.156
C8	-0.221	-0.520	0.248
H9	-0.257	-1.504	-0.228
H10	-0.355	-0.687	1.323
N11	2.170	-0.787	-0.162
H12	3.115	-0.438	-0.196
H13	2.025	-1.781	-0.138
C14	1.154	0.107	0.059
O15	1.346	1.321	0.111

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0914	1.0901	1.0915	1.5232	2.1558	2.1632	2.5319	2.8027	2.7416	4.9323	5.8470	5.0075	3.8890	4.3436
H2	1.0914		1.7624	1.7631	2.1680	3.0678	2.5189	2.7976	3.1784	2.5586	5.2249	6.1306	5.2692	4.1811	4.6258
H3	1.0901	1.7624		1.7621	2.1694	2.4944	2.5106	3.4814	3.7956	3.7511	5.8155	6.6849	5.9700	4.6943	4.9551
H4	1.0915	1.7631	1.7621		2.1726	2.5222	3.0755	2.7955	2.6234	3.0829	5.0467	6.0200	4.9228	4.2383	4.9198
C5	1.5232	2.1680	2.1694	2.1726		1.0930	1.0901	1.5246	2.1644	2.1571	3.6997	4.5304	3.9969	2.5328	2.8789
H6	2.1558	3.0678	2.4944	2.5222	1.0930		1.7481	2.1453	2.4855	3.0534	3.8172	4.5853	4.1454	2.7937	3.0747
H7	2.1632	2.5189	2.5106	3.0755	1.0901	1.7481		2.1356	3.0492	2.5136	4.0327	4.7135	4.5318	2.6936	2.5743
C8	2.5319	2.7976	3.4814	2.7955	1.5246	2.1453	2.1356		1.0936	1.0955	2.4410	3.3664	2.6043	1.5233	2.4217
H9	2.8027	3.1784	3.7956	2.6234	2.1644	2.4855	3.0492	1.0936		1.7557	2.5315	3.5363	2.2999	2.1604	3.2656
H10	2.7416	2.5586	3.7511	3.0829	2.1571	3.0534	2.5136	1.0955	1.7557		2.9315	3.7962	2.9992	2.1229	2.8975
N11	4.9323	5.2249	5.8155	5.0467	3.6997	3.8172	4.0327	2.4410	2.5315	2.9315		1.0077	1.0048	1.3715	2.2803
H12	5.8470	6.1306	6.6849	6.0200	4.5304	4.5853	4.7135	3.3664	3.5363	3.7962	1.0077		1.7310	2.0509	2.5135
H13	5.0075	5.2692	5.9700	4.9228	3.9969	4.1454	4.5318	2.6043	2.2999	2.9992	1.0048	1.7310		2.0884	3.1854
C14	3.8890	4.1811	4.6943	4.2383	2.5328	2.7937	2.6936	1.5233	2.1604	2.1229	1.3715	2.0509	2.0884		1.2304
O15	4.3436	4.6258	4.9551	4.9198	2.8789	3.0747	2.5743	2.4217	3.2656	2.8975	2.2803	2.5135	3.1854	1.2304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.891	C1	C5	H7	110.645
C1	C5	C8	112.349	H2	C1	H3	107.780
H2	C1	H4	107.743	H2	C1	C5	110.949
H3	C1	H4	107.747	H3	C1	C5	111.147
H4	C1	C5	111.311	C5	C8	H9	110.437
C5	C8	H10	109.746	C5	C8	C14	112.407
H6	C5	H7	106.406	H6	C5	C8	108.972
H7	C5	C8	108.382	C8	C14	N11	114.869
C8	C14	O15	122.798	H9	C8	H10	106.639
H9	C8	C14	110.211	H10	C8	C14	107.185
N11	C14	O15	122.330	H12	N11	H13	118.664
H12	N11	C14	118.282	H13	N11	C14	122.251

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP2/6-31+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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All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)