<?xml version = "1.0" encoding = "UTF-8"?>
<schema xmlns = "http://www.w3.org/2001/XMLSchema"
	 targetNamespace = "http://nbcr.sdsc.edu/gamess/types"
	 xmlns:types = "http://nbcr.sdsc.edu/gamess/types"
	 xmlns:mol = "http://nbcr.sdsc.edu/molecule/types"
	 xmlns:xs = "http://www.w3.org/2001/XMLSchema"
	 elementFormDefault = "qualified"
	 attributeFormDefault = "unqualified">
	<simpleType name = "TYPE_TWO_Type">
		<restriction base = "string">
			<pattern value = "ATOM|TRAN|TORQ"/>
		</restriction>
	</simpleType>
	<simpleType name = "TYPE_ONE_Type">
		<restriction base = "string">
			<pattern value = "ATOM|TRAN|TORQ"/>
		</restriction>
	</simpleType>
	<complexType name = "DV_Type">
		<sequence>
			<element name = "HDX" type = "double"/>
			<element name = "HDY" type = "double"/>
			<element name = "HDZ" type = "double"/>
		</sequence>
		<attribute name = "ATOM_NUMBER_TWO" type = "positiveInteger"/>
		<attribute name = "FRAG_NUMBER_TWO" type = "positiveInteger"/>
		<attribute name = "TYPE_TWO" use = "required" type = "types:TYPE_TWO_Type"/>
	</complexType>
	<simpleType name = "HCOORD_Type">
		<restriction base = "string">
			<enumeration value = "DX"/>
			<enumeration value = "DY"/>
			<enumeration value = "DZ"/>
		</restriction>
	</simpleType>
	<complexType name = "DT_Type">
		<sequence>
			<element name = "HCOORD" type = "types:HCOORD_Type" minOccurs="0"/>
			<element name = "DV" type = "types:DV_Type" maxOccurs = "unbounded"/>
		</sequence>
		<attribute name = "ROW" use = "required" type = "positiveInteger"/>
		<attribute name = "FRAG_NUMBER_ONE" type = "positiveInteger"/>
		<attribute name = "ATOM_NUMBER_ONE" type = "positiveInteger"/>
		<attribute name = "TYPE_ONE" use = "required" type = "types:TYPE_ONE_Type"/>
	</complexType>
	<complexType name = "ORB_Type">
		<sequence>
			<element name = "EIGENVALUE" type = "double" minOccurs = "0"/>
			<element name = "SYMLABEL" type = "string" minOccurs = "0"/>
			<element name = "BASIS_COEFF" type = "double" maxOccurs = "unbounded"/>
		</sequence>
		<attribute name = "ORB_NUM" type = "positiveInteger"/>
	</complexType>
	<complexType name = "VEC_Type">
		<sequence>
			<element name = "ENERGY" type = "double" minOccurs = "0"/>
			<element name = "ORB" type = "types:ORB_Type" minOccurs = "0" maxOccurs = "unbounded"/>
		</sequence>
		<attribute name = "VAORIG" type = "string"/>
		<attribute name = "ORBTYPE" type = "string"/>
		<attribute name = "IVSTATE" type = "integer"/>
	</complexType>
	<complexType name = "HESS_Type">
		<sequence>
			<element name = "DT" type = "types:DT_Type" minOccurs = "1" maxOccurs = "unbounded"/>
		</sequence>
		<attribute name = "HAORIG" type = "string"/>
                <attribute name = "IHSTATE" type = "integer"/>
	</complexType>
	<element name = "VEC" type = "types:VEC_Type"/>
	<element name = "HESS" type = "types:HESS_Type"/>
	<element name = "ORB" type = "types:ORB_Type"/>
</schema>

